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Shanghai Sochem International Co., Ltd.

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Contact: Mr.John Xu
Web: http://www.sochem.com.cn
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Address: Rm 504, ESIT Plaza,1877 South Pudong Road, Pudong, Shanghai 200122, China
Phone: +86-(21)-58317817 | Fax: +86-(21)-58317781 | Map/Directions >>

Profile: Shanghai Sochem International Co., Ltd. is a manufacture of dyestuffs, pharmaceutical intermediates, pesticide intermediates, dyestuff intermediates, pigments and speciality chemicals. Our agrochemical & intermediates include 2,4-D isooctyl ester, aluminium phosphide, benzyl chloroformate, bromopropylate, campholenic aldehyde and copper acetate. Our speciality chemicals are photoinitiators, UV absorbers, water treatment chemicals, flame retardants and biochemicals.

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• (+)-beta-Pinene oxide
IUPAC Name: (1R,2R,5S)-7,7-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane] | CAS Registry Number: 6931-54-0
Synonyms: beta-Pinene oxide, ZINC03921426, CID11870244

Molecular Formula: C10H16OMolecular Weight: 152.233440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OUXAABAEPHHZPC-XKSSXDPKSA-N

• (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
IUPAC Name: (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid | CAS Registry Number: 80875-98-5
Synonyms: L-Octahydroindole-2-carboxylic acid, (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid, (2S,3AS,7AS)-2-Carboxyoctahydroindole, (2S,3aS,7aS)-Octahydroindole-2-carboxylic acid, (2S,3aS,7aS)-2-Carboxyperhydroindole, (2S,3AS,7AS)-PERHYDROINDOLE-2-CARBOXYLIC ACID, (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid, hydroindole, L-Octahydroindole-2-carboxylicacid, Octahydro-indole-2-carboxylic acid, AC1OLREW, PubChem15646, H-OIC-OH, L-OIC-OH, AC1Q71AB, SureCN1414979, KSC448A4B, UNII-9ID44U804I, (2S,3aS,7aS)-2-carboxyocta, CTK3E8040

Molecular Formula: C9H15NO2Molecular Weight: 169.220900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CQYBNXGHMBNGCG-FXQIFTODSA-N

• (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
IUPAC Name: [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol | CAS Registry Number: 105812-81-5
Synonyms: ZINC02529787, CID7016838, TL8000217, (3S,4R)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

Molecular Formula: C13H19FNO+Molecular Weight: 224.294463 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CXRHUYYZISIIMT-AAEUAGOBSA-O

• (r)-1-methyl-2-(4-methoxyphenyl)-ethylamine
IUPAC Name: (2R)-1-(4-methoxyphenyl)propan-2-amine | CAS Registry Number: 58993-79-6
Synonyms: (R)-1-(4-Methoxyphenyl)propan-2-amine, (2R)-1-(4-methoxyphenyl)propan-2-amine, AC1OCV6D, (R)-2-(4-METHOXYPHENYL)-1-METHYLETHANAMINE, SureCN394418, CHEMBL2079629, CTK7A2415, ANW-58133, AKOS015900186, AB51426, AG-B-74503, AK-87647, KB-02798, FT-0690314, (R)-2-(4-methoxyphenyl)-1-methyl ethanamine, (2R)-1-(4-METHOXYPHENYL)PROP-2-YLAMINE, (1R)-2-(4-METHOXYPHENYL)-1-METHYLETHYLAMINE, I14-10563, R-(-)-2-(P-METHOXYPHENYL)-1-METHYL ETHAMINE, (R)-2-(4-METHOXY-PHENYL)-1-METHYL-ETHYLAMINE

Molecular Formula: C10H15NOMolecular Weight: 165.232200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NEGYEDYHPHMHGK-MRVPVSSYSA-N

• (r)-2-hydroxy-4-phenylbutanoic Acid
IUPAC Name: (2R)-2-hydroxy-4-phenylbutanoic acid | CAS Registry Number: 29678-81-7
Synonyms: 420085_ALDRICH, 2-Hydroxy-4-phenylbutyric acid, (R)-2-Hydroxy-4-phenylbutyric acid, TL8002311, N-1121

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JNJCEALGCZSIGB-SECBINFHSA-N

• (R)-2-Hydroxy-4-phenylbutyric acid
IUPAC Name: (2R)-2-hydroxy-4-phenylbutanoic acid | CAS Registry Number: 267013-77-4
Synonyms: 29678-81-7, (R)-(-)-2-Hydroxy-4-phenylbutyric acid, (2R)-2-hydroxy-4-phenylbutanoic acid, (R)-2-Hydroxy-4-phenylbutanoicAcid, (R)-2-hydroxy-4-phenylbutanoic acid, PubChem5687, SureCN233440, AC1MC05S, 420085_ALDRICH, AC1Q59Q5, Jsp005621, CTK4F8369, MolPort-001-794-060, ANW-26676, (r)-2-hydroxy-4-phenyl-butyric acid, AKOS015855449, AC-6643, R-(-)-2-Hydroxy-4-phenylbutyric acid, AK-34569, BR-34569

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JNJCEALGCZSIGB-SECBINFHSA-N

• (s)-1,1-dimethylethyl 3-amino-2-oxo-2,3,4,5-tetrahydro-1h-benz[b]azepin-1-acetate
IUPAC Name: tert-butyl 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate | CAS Registry Number: 109010-60-8
Synonyms: S-ATBA, AN-668/40768843, (S)-tert-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate, Tert-butyl-3-amino-2,3,4,5-tetrahydro-2-oxo-1H-(3S)-benzazepine-1-acetate, (S)-t-Butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate, T-butyl,3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1acetate, PubChem16776, SureCN5698825, UNII-5WJ869A7AY, AC1O46A4, Jsp000740, CTK4A6290, MolPort-003-802-980, ACN-S003839, ACT01801, AC-767, ANW-16003, ZINC53112900, AKOS015854177, AKOS015888693

Molecular Formula: C16H22N2O3Molecular Weight: 290.357480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QTEDVVHLTMELTB-LBPRGKRZSA-N

• (S)-2-Chloropropionic acid
IUPAC Name: (2S)-2-chloropropanoic acid | CAS Registry Number: 29617-66-1
Synonyms: (2S)-Chloropropanoic acid, L-2-Chloropropanoic acid, L-2-Chloropropionic acid, alpha-L-Chloropropionic acid, (S)-2-Chloropropanoic acid, 2S-chloropropanoic acid, 2(S)-Chloropropionic acid, beta-Chloropropionic acid, 2(S)-Chloropropionic ac, Propanoic acid, 2-chloro-, L-alpha-Chloropropionic acid, (-)-2-Chloropropanoic acid, (-)-2-Chloropropionic acid, 2-CHLOROPROPANOIC ACID, Propanoic acid, 2-chloro-, (S)-, Propionic acid, 2-chloro-, L-, 306797_ALDRICH, LMFA01090032, Propionic acid, 2-chloro-, L- (8CI), SB 01780

Molecular Formula: C3H5ClO2Molecular Weight: 108.523600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GAWAYYRQGQZKCR-REOHCLBHSA-N

• (S)-N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenylthio)-2-hydroxy-2-methylpropanamide
IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide | CAS Registry Number: 90356-78-8
Synonyms: N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropionamide, N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropanamide, H-(4-Cyano-3-trifluoromthylphenyl)-3-(4-flourophenylsulfanyl)-2-hydroxy-2-methylpropionamide, Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-, n-(4-cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-hydroxy-2-methylpropionamide, N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)thio]-2-hydroxy-2-methylpropanamide, Bicalutamide Sulfide, SureCN899788, KSC486M2N, AGN-PC-0006AA, UNII-135IE10O4Y, CHEMBL171543, CTK3I6626, MolPort-003-987-412, ANW-46053, AKOS015836118, AC-17498, AK-78897, KB-55905, N767

Molecular Formula: C18H14F4N2O2SMolecular Weight: 398.374573 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: GCGWWKKSGPETMI-UHFFFAOYSA-N

• [(1s, 3s, 4s)-4-Amino-3-Hydroxy-5-Phenyl-1-(phenylmethyl)pentyl]-Carbamic Acid 1,1-Dimethylethyl Ester
IUPAC Name: tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate | CAS Registry Number: 144163-85-9
Synonyms: tert-Butyl ((2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate, [(1S,3S,4S)-4-Amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-carbamic acid 1,1-dimethylethyl ester, [(1S,3S,4S)-4-Amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]carbamic acid 1,1-dimethyl ethyl ester, SureCN2059435, CTK7G8934, (2S,3S,5S)-2-AMINO-3-HYDROXY-5-(TERT-BUTYLOXYCARBONYLAMINO)-1,6-DIPHENYLHEXANE, MolPort-005-941-577, tert-butyl N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate, AKOS015841346, AKOS015896454, AG-A-03130, AK-33286, BR-33286, S029, KB-259926, FT-0655390, ST51053285, I06-1914, I14-14293

Molecular Formula: C23H32N2O3Molecular Weight: 384.511780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: UKFHOTNATOJBKZ-ACRUOGEOSA-N

• [(Diphenylmethyl)thio]acetamide
IUPAC Name: 2-benzhydrylsulfanylacetamide | CAS Registry Number: 68524-30-1
Synonyms: 2-[(DIPHENYLMETHYL)THIO]ACETAMIDE, Diphenylmethyl Thioacetamide, 2-Benzhydrylsulfanyl-acetamide, 2-[(Diphenylmethyl)thio]-acetamide, AG-G-64065, PubChem19513, SureCN1537233, 2-(Benzhydrylthio)acetamide;, KSC493O9F, ACE003, 2-(Benzhydrylsulphanyl)acetamide, CTK3J3792, MolPort-005-935-534, 2-(diphenylmethyl)sulfanylethanamide, RW2765, ZINC00009766, 2-[(diphenylmethyl)sulfanyl]acetamide, Acetamide, 2-[(diphenylmethyl)thio]-, AKOS015888234, 2-[(Diphenylmethyl)sulphanyl]acetamide

Molecular Formula: C15H15NOSMolecular Weight: 257.350700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HCRQRIFRHGPWBH-UHFFFAOYSA-N

• [3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methonol
IUPAC Name: [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol | CAS Registry Number: 103577-66-8
Synonyms: (3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methanol, 2-Pyridinemethanol, 3-methyl-4-(2,2,2-trifluoroethoxy)-, 2-Pyridinemethanol,3-methyl-4-(2,2,2-trifluoroethoxy)-, 2-Hydroxymethyl-3-methyl-4-(2,2,2-thifluoroethoxy)pyridine, [3-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-yl]-methanol, ACMC-20a2tv, AGN-PC-004UDG, SureCN1681095, PYR399, CTK4A2201, MolPort-002-461-986, ANW-54593, ZINC12958690, AKOS015962961, AC-6873, AG-D-14588, CCG-211276, AK-55955, KB-207431, M-1949

Molecular Formula: C9H10F3NO2Molecular Weight: 221.176410 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: GNILTGRCVCMPFJ-UHFFFAOYSA-N

• 1,1-Dimethylpiperidinium chloride
IUPAC Name: 1,1-dimethylpiperidin-1-ium chloride | CAS Registry Number: 24307-26-4
Synonyms: Mepiquat chloride, Pix Ultra, Caswell No. 380AB, Bas85559X, Methylpiperidine hydrochloride, BAS 083W, HSDB 7059, N,N-Dimethylpiperidinium chloride, BAS-083, BAS 08301W, BAS-08300W, N,N-Dimethyl-piperidinium chloride, BAS 08305 W, BAS 08306 W, BAS 08307 W, EINECS 246-147-6, 1,1-DIMETHYLPIPERIDINIUM CHLORIDE, EPA Pesticide Chemical Code 109101, Piperidinium, 1,1-dimethyl-, chloride, LS-116499

Molecular Formula: C7H16ClNMolecular Weight: 149.661640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VHOVSQVSAAQANU-UHFFFAOYSA-M

• 1,2,2,6,6-Pentamethyl-4-Piperidinol
IUPAC Name: 1,2,2,6,6-pentamethylpiperidin-4-ol | CAS Registry Number: 2403-89-6
Synonyms: 03225_FLUKA, ZERO/006223, NSC364075, CID75472, EINECS 219-292-8, NSC 364075, 1,2,2,6,6-Pentamethyl-4-piperidinol, 1,2,2,6,6-Pentamethylpiperidin-4-ol, 4-Piperidinol, 1,2,2,6,6-pentamethyl-, 1,2,2,6,6-Pentamethyl-4-hydroxypiperidine, 4-Hydroxy-1,2,2,6,6-pentamethylpiperidine

Molecular Formula: C10H21NOMolecular Weight: 171.279840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NWHNXXMYEICZAT-UHFFFAOYSA-N

• 1,2,3,9-Tetrahydro-9-methyl-4H-carbazole-4-one
IUPAC Name: 9-methyl-2,3-dihydro-1H-carbazol-4-one | CAS Registry Number: 27387-31-1
Synonyms: 1,2,3,4-Tetrahydro-9-methylcarbazol-4-one, 1,2,3,9-TETRAHYDRO-9-METHYL-4H-CARBAZOLE-4-ONE, 9-Methyl-2,3,4,9-tetrahydro-1H-carbazol-4-one, 9-Methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one, 9-methyl-2,3-dihydro-1H-carbazol-4-one, 9-methyl-1,2,3,4-tetrahydro-4-oxocarbazole, 9-Methyl-1,2,3,9-tetrahydro-carbazol-4-one, 9-Methyl-1,2,3,9-tetrahydro-carbazol-4-, 4H-Carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-, 9-methyl-1,2,3,9-tetrahydro-4aH-carbazol-4-one, ZERO/001167, PubChem9952, AGN-PC-0CUJQD, AC1LCC4S, Maybridge1_001957, SureCN1146660, Ondansetron related compound C, UNII-267IW42T7Z, AC1Q3Z59, Jsp005325

Molecular Formula: C13H13NOMolecular Weight: 199.248420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HHJUJCWZKJMCLC-UHFFFAOYSA-N

• 1,2,3-Triazole
IUPAC Name: 2H-triazole | CAS Registry Number: 27070-49-1
Synonyms: 1H-1,2,3-Triazole, 288-36-8, 1,2,3-1H-Triazole, 2H-1,2,3-triazole, triazol, Triazole, Osotriazole, V-triazole, 2H-triazole, CHEBI:35565, SBB058566, AG-E-93202, [1,2,3]triazole, 1,2,3-triazol, 288-35-7, SureCN102, ACMC-1CMBH, AC1Q1IAI, SureCN83260, SureCN452016

Molecular Formula: C2H3N3Molecular Weight: 69.065320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QWENRTYMTSOGBR-UHFFFAOYSA-N

• 1,2,4 Triazole
IUPAC Name: 1H-1,2,4-triazole | CAS Registry Number: 288-88-0
Synonyms: s-Triazole, 1H-1,2,4-Triazole, 1,2,4-TRIAZOLE, 4H-1,2,4-triazole, 1H-1.2.4-Triazole, MET1075A_SUPELCO, T46108_ALDRICH, 4H-1,2,4-Triazole (VAN), C2H3N3, CHEBI:35550, CHEBI:46077, EINECS 206-022-9, NSC 83128, AIDS023082, AIDS-023082, NSC83128, ZINC04897205, AI3-51031, DB03594, LS-155746

Molecular Formula: C2H3N3Molecular Weight: 69.065320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NSPMIYGKQJPBQR-UHFFFAOYSA-N

• 1,2-Dibromo-2,4-dicyanobutane
IUPAC Name: 2-bromo-2-(bromomethyl)pentanedinitrile | CAS Registry Number: 35691-65-7
Synonyms: Bromothalonil, Tektamer, Metacide 38, Tektamer 38, Tektamer 38AD, BBMG, MDBGN, Tuopai DM 01, Caswell No. 114G, Methyldibromoglutaronitrile, Methyldibromo glutaronitrile, HSDB 7313, 2-Bromo-2-bromoethylglutaronitrile, EINECS 252-681-0, 2-Bromo-2-(bromomethyl)glutaronitrile, EPA Pesticide Chemical Code 111001, Glutaronitrile, 2-bromo-2-(bromomethyl)-, 2-Bromo-2-(bromomethyl) glutaronitrile, Pentanedinitrile, 2-bromo-2-(bromomethyl)-, 2-Bromo-2-(bromomethyl) pentanedinitrile

Molecular Formula: C6H6Br2N2Molecular Weight: 265.933240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DHVLDKHFGIVEIP-UHFFFAOYSA-N

• 1,4,5,8-Naphthalenetetracarboxylic acid
IUPAC Name: naphthalene-1,4,5,8-tetracarboxylic acid | CAS Registry Number: 128-97-2
Synonyms: Tetra acid, NSC66207, 1,4,5,8-Tetracarboxynaphthalene, NCIStruc1_001520, NCIStruc2_001460, 1,4,5,8-NAPHTHALENETETRACARBOXYLIC ACID, EINECS 204-924-7, NSC 66207, AIDS092403, AIDS-092403, CID31422, NCI66207, BRN 0436046, NCGC00013765, NSC-66207, NCGC00096875-01, LS-94954, NCI60_021524, Naphthalene-1,4,5,8-tetracarboxylic acid, ST5408873

Molecular Formula: C14H8O8Molecular Weight: 304.208520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: OLAPPGSPBNVTRF-UHFFFAOYSA-N

• 1,4,5,8-Tetrachloroanthraquinone
IUPAC Name: 1,4,5,8-tetrachloroanthracene-9,10-dione | CAS Registry Number: 81-58-3
Synonyms: NSC513487, AIDS017901, AIDS-017901, CID66484, EINECS 201-362-4, ZINC05543460, 1,4,5,8-Tetrachloro-9,10-anthraquinone, Anthraquinone, 1,4,5,8-tetrachloro-, NSC 513487, 9,10-Anthracenedione, 1,4,5,8-tetrachloro-, Anthraquinone, 1,4,5,8-tetrachloro- (8CI)

Molecular Formula: C14H4Cl4O2Molecular Weight: 345.992360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DUJPMUKIEFLXRE-UHFFFAOYSA-N

• 1,4-Bis-(bromoacetoxy)-2-butene (BBAB)
IUPAC Name: [(E)-4-(2-bromoacetyl)oxybut-2-enyl] 2-bromoacetate | CAS Registry Number: 20679-58-7
Synonyms: Slimacide V 10, Caswell No. 088A, EINECS 243-962-9, NSC 23989, 2-Butene-1,4-diol bis(bromoacetate), 2-Butene-1,4-diyl bis(bromoacetate), 1,4-BIS(BROMOACETOXY)-2-BUTENE, Acetic acid, bromo-, 2-butenylene ester, LS-11135, Acetic acid, bromo-, 2-butene-1,4-diyl ester, Acetic acid, bromo-, 2-butenylene ester (8CI)

Molecular Formula: C8H10Br2O4Molecular Weight: 329.970600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: SIHKVAXULDBIIY-OWOJBTEDSA-N

• 1,4-Diisopropoxybenzene
IUPAC Name: 1,4-di(propan-2-yloxy)benzene | CAS Registry Number: 7495-78-5
Synonyms: Benzene, 1,4-bis(1-methylethoxy)-, NSC407768, CID82002, NSC 407768

Molecular Formula: C12H18O2Molecular Weight: 194.270120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HXINKONAVYDDKZ-UHFFFAOYSA-N

• 1-(2,3-Dichlorophenyl) Piperazine
IUPAC Name: 1-(2,3-dichlorophenyl)piperazin-4-ium | CAS Registry Number: 41202-77-1
Synonyms: ZINC00386729, CID6950013

Molecular Formula: C10H13Cl2N2+Molecular Weight: 232.129620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UDQMXYJSNNCRAS-UHFFFAOYSA-O

• 1-(2-Chloroethoxy)propane
IUPAC Name: 1-(2-chloroethoxy)propane | CAS Registry Number: 42149-74-6
Synonyms: Propane, 1-(2-chloroethoxy)-, ZINC02522731, EINECS 255-685-0, CID123506, BBV-14848840

Molecular Formula: C5H11ClOMolecular Weight: 122.593240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BHDSGQOSIWVMJW-UHFFFAOYSA-N

• 1-(3-Hydroxymethylpyridin-2-yl)-4-methyl-2-phenylpiperazine
IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride | CAS Registry Number: 141109-19-5
Synonyms: AB1004590

Molecular Formula: C15H17Cl2NO2SMolecular Weight: 346.271980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZXANKCFSGFEBQW-PFEQFJNWSA-N

• 1-Bromo-3-chloro-5,5-dimethyl Hydantoin
IUPAC Name: 1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione | CAS Registry Number: 16079-88-2
Synonyms: Agribrom, di-Halo, Slimicide 78P, Slimicide C 77P, Halogene T 30, Caswell No. 114A, Ambap3442, EINECS 240-230-0, EPA Pesticide Chemical Code 006315, CID61828, 1-Bromo-3-chloro-5,5-dimethylhydantoin, ZINC01850613, N-Bromo-N'-chloro-5,5-dimethylhydantoin, Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-, LS-76013, 1-Bromo-3-chloro-5,5-dimethyl hydantoin, 1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione, 2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-, 1-BROMO-3-CHLORO-5,5-DIMETHYLIMIDAZOLIDINE-2,4-DIONE

Molecular Formula: C5H6BrClN2O2Molecular Weight: 241.470340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PIEXCQIOSMOEOU-UHFFFAOYSA-N

• 1-Chloro-4-(1,1-Dimethyl ethyl) Benzene Ether
IUPAC Name: 1-tert-butyl-4-chlorobenzene | CAS Registry Number: 3972-56-3
Synonyms: 1-tert-Butyl-4-chlorobenzene, 4-tert-Butyl-1-chlorobenzene, CID77594, EINECS 223-598-7, 1-Chloro-4-(1,1-dimethylethyl)benzene, Benzene, 1-chloro-4-(1,1-dimethylethyl)-, AE-562/43286974

Molecular Formula: C10H13ClMolecular Weight: 168.663220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: XRTANKYQJQXSFP-UHFFFAOYSA-N

• 1-Cyclohexylethanol
IUPAC Name: 1-cyclohexylethanol | CAS Registry Number: 1193-81-3
Synonyms: Methylcyclohexylcarbinol, Cyclohexylmethylcarbinol, 1-Cyclohexyl-1-ethanol, Ethanol, 1-cyclohexyl-, Methanol, cyclohexylmethyl-, (1-Hydroxyethyl)cyclohexane, alpha-Methylcyclohexanemethanol, NSC9476, 110434_ALDRICH, MolPort-001-787-148, NSC44898, CID137829, Cyclohexanemethanol, .alpha.-methyl-, BBV-27118982, Cyclohexanemethanol, alpha-methyl-, (S)-, Cyclohexanemethanol, .alpha.-methyl-, (S)-, I14-1786, 3113-98-2

Molecular Formula: C8H16OMolecular Weight: 128.212040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JMSUNAQVHOHLMX-UHFFFAOYSA-N

• 1-Ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester
IUPAC Name: ethyl 1-ethyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate | CAS Registry Number: 100501-62-0
Synonyms: Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate, Ethyl 1-ethyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate, 1-ETHYL-6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER, ACMC-1BRCG, AC1NOMY6, SureCN6756451, KSC499A1T, 677701_ALDRICH, CTK3J9019, MolPort-003-986-164, ANW-58957, ZINC00404009, AKOS015914669, AG-D-05768, MCULE-8821940306, AK-55671, N708, KB-201140, TL8000055, E0888

Molecular Formula: C14H12F3NO3Molecular Weight: 299.245190 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: LWLLHOVWIFISMG-UHFFFAOYSA-N

• 1-H 1,2,4-Ltriazole Sodium Salt
IUPAC Name: sodium 2,4-diaza-5-azanidacyclopenta-1,3-diene | CAS Registry Number: 41253-21-8
Synonyms: 1,2,4-Triazole sodium salt, Sodium-1,2-4-triazolide, Sodium 1H-1,2,4-triazolate, Sodium 1H-1,2,4-triazolide, 1,2,4-Triazole, sodium salt, MLS001335997, MLS001335998, 1,2,4-Triazole sodium derivative, 197645_ALDRICH, sodium 1,2,4-triazol-1-ide, 1H-1,2,4-Triazole, sodium salt, EINECS 255-280-9, NCGC00090960-01, SMR000857331, LS-195501, TL8006523, 1H-1,2,4-Triazole, sodium salt (1:1), 117547-14-5

Molecular Formula: C2H2N3NaMolecular Weight: 91.047150 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NVMNEWNGLGACBB-UHFFFAOYSA-N

• 1-Naphthylamine-4,6,8-trisulfonic acid
IUPAC Name: 8-aminonaphthalene-1,3,5-trisulfonic acid | CAS Registry Number: 17894-99-4
Synonyms: MolPort-005-933-479, CID87355, NSC35345, EINECS 241-837-3, AC-11886, 8-Aminonaphthalene-1,3,5-trisulphonic acid

Molecular Formula: C10H9NO9S3Molecular Weight: 383.374760 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: RQVVDWMOCSOAJS-UHFFFAOYSA-N

• 1-Nitroguanidine
IUPAC Name: 2-nitroguanidine | CAS Registry Number: 556-88-7
Synonyms: Nitroguanidine, Guanidine, nitro-, Picrite, 2-Nitroguanidine, N''-Nitroguanidine, N-nitroguanidine, 1-NITROGUANIDINE, Guanidine, 1-nitro-, .alpha.-Nitroguanidine, N1-Nitroguanidine, 1-nitro-guanidine, N(1)-Nitroguanidine, Nitroguanidine, wet, Picrite (the explosive), .beta.-Nitroguanidine, WLN: WNMYZUM, Guanidine, 1-nitro- (wet), N17351_ALDRICH, HSDB 5693, CHEBI:39180

Molecular Formula: CH4N4O2Molecular Weight: 104.068060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: IDCPFAYURAQKDZ-UHFFFAOYSA-N

• 1-Tert-Butyl-2-(4-Chlorobenzyl)-2-(1,2,4-Triazol-1-Yl)-Ethanol
IUPAC Name: (3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol; (3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol | CAS Registry Number: 76738-62-0
Synonyms: Paclobutrazol, Friazole, Clipper, Trimmit, Cultar, Parlay, Bonzi, Duo Xiao Zuo, Clipper 50WP, Caswell No. 628C, ICI-PP 333, Paclobutrazol [ANSI:BSI:ISO], EINECS 266-325-7, PP 333, EPA Pesticide Chemical Code 125601, LS-155977, alpha-tert-Butyl-beta-((4-chlorophenyl)methyl)-1H-triazol-1-ethanol, (2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-ol, (2RS,3RS)-1-(4-Chlorophenyl)-4,4-dimethyl-2-1,2,4-triazol-1-yl pentan-3-ol, beta-((4-Chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol

Molecular Formula: C30H40Cl2N6O2Molecular Weight: 587.583600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: GHGCUYKTGPFCTK-LZOIJMLOSA-N

• 1H-pyrazole
IUPAC Name: 1H-pyrazole | CAS Registry Number: 288-13-1
Synonyms: pyrazole, 1H-Pyrazole, 1,2-diazole, 1H-pyrazol, WLN: T5MNJ, P56607_ALDRICH, C3H4N2, NSC45410, CHEBI:17241, EINECS 206-017-1, CID1048, NSC 45410, AIDS069154, AIDS-069154, ZINC00895257, AI3-60151, NCI60_004054, ST007565, LS-127884, TL8002272

Molecular Formula: C3H4N2Molecular Weight: 68.077260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WTKZEGDFNFYCGP-UHFFFAOYSA-N

• 2,2'-(5-Methyl-1,3-phenylene)di(2-methylpropanenitrile)
IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile | CAS Registry Number: 120511-72-0
Synonyms: 3,5-Bis(2-cyanoprop-2-yl)toluene, Pentamethyl-1,3-benzenediacetonitrile, 2,2'-(5-Methyl-1,3-phenylene)bis(2-methylpropanenitrile), 1,3-Benzenediacetonitrile,a1,a1,a3,a3,5-pentamethyl-, 2,2-(5-Methyl-1-,3-phenylene)di(2-methylpropiononitrile), PubChem14361, ACMC-1C6FE, AGN-PC-00R8FQ, SureCN1172829, CTK4B1911, MolPort-003-985-824, ANW-46631, SBB063217, ZINC21985858, AKOS005257888, AC-6803, AG-D-44789, 3,5-Bis(2-cyano-2-methylethyl)toluene, AK-55794, EN001317

Molecular Formula: C15H18N2Molecular Weight: 226.316820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SJECEXNMZXMXNE-UHFFFAOYSA-N

• 2,2'-Bis(2-dichlorophenyl)-4,4'5,5'-tetraphenyl-1,2'-biimidazole
IUPAC Name: 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazole | CAS Registry Number: 1707-68-2
Synonyms: EINECS 216-952-7, CID74357, 1,1'-Bi-1H-imidazole, 2,2'-bis(2-chlorophenyl)-4,4',5,5'-tetraphenyl-, 1,1'-Biimidazole, 2,2'-bis(o-chlorophenyl)-4,4',5,5'-tetraphenyl-, 2,2'-Bis(2-chlorophenyl)-4,4',5,5'-tetraphenyl-1,1'-bi-1H-imidazole, 12758-88-2

Molecular Formula: C42H28Cl2N4Molecular Weight: 659.604520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VOKXCKZXSBBOPC-UHFFFAOYSA-N

• 2,2-Dichlorovinyl Dimethyl Phosphate (DDVP)
IUPAC Name: 2,2-dichloroethenyl dimethyl phosphate | CAS Registry Number: 62-73-7
Synonyms: dichlorvos, Dichlorphos, Dichlorophos, Divipan, Atgard, Vapona, Chlorvinphos, Dichlorman, Dichlorovos, Lindanmafu, Szklarniak, Vinylophos, Winylophos, Krecalvin, Vinylofos, Brevinyl, Canogard, Equigard, Estrosel, Vaponite

Molecular Formula: C4H7Cl2O4PMolecular Weight: 220.975741 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OEBRKCOSUFCWJD-UHFFFAOYSA-N

• 2,2-Dimethyl-5-(2,5xylyloxy) valeric isobutyl ester
IUPAC Name: 2-methylpropyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate | CAS Registry Number: 149105-26-0
Synonyms: Isobutyl 2,2-Dimethyl-5-(2,5-Xylyloxy)Valerate, DL-Naproxen:2,2-Dimethyl-5-(2,5xylyloxy) valeric isobutyl ester, Pentanoic acid,5-(2,5-dimethylphenoxy)-2,2-dimethyl-, 2-methylpropyl ester, ACMC-20n5lv, Jsp002817, CTK4C6045, MolPort-003-986-451, ZINC21298080, AKOS015890678, AG-D-95038, AC-19610, AK115100, H410, TL8001071, FT-0653809, ST51052162, Isobutyl 2,2-dimethyl-5-(2,5-xylyloxy)valerate;, I01-7098, Isobutyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate

Molecular Formula: C19H30O3Molecular Weight: 306.439700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: REPYTKNMHNVOPH-UHFFFAOYSA-N

• 2,2-Dimethylvaleric Acid
IUPAC Name: 2,2-dimethylpentanoic acid | CAS Registry Number: 1185-39-3
Synonyms: Neoheptanoic acid, 2,2-Dimethylpentanoic acid, 2,2-DIMETHYLVALERIC ACID, Pentanoic acid, 2,2-dimethyl-, Valeric acid, 2,2-dimethyl-, alpha,alpha-Dimethylvaleric acid, 41740_ALDRICH, 41740_FLUKA, EINECS 214-682-4, NSC 61983, CID14455, NSC61983, BRN 1747703, LMFA01020085, .alpha.,.alpha.-Dimethylvaleric acid, FR-0287, alpha,alpha-DIMETHYL-n-VALERIC ACID, Pentanoic acid, 2,2-dimethyl- (9CI), LS-161077, 4-02-00-00976 (Beilstein Handbook Reference)

Molecular Formula: C7H14O2Molecular Weight: 130.184860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZRYCZAWRXHAAPZ-UHFFFAOYSA-N

• 2,3,5-Trichloropyridine
IUPAC Name: 2,3,5-trichloropyridine | CAS Registry Number: 16063-70-0
Synonyms: 2,3,5-TRICHLOROPYRIDINE, Pyridine, 2,3,5-trichloro-, ZERO/001504, 384275_ALDRICH, TPC-I005, CID27666, BRN 0119384, ZINC00084933, T250, LS-132112, EU-0067746, 5-20-05-00420 (Beilstein Handbook Reference), AF-834/25001439, InChI=1/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2

Molecular Formula: C5H2Cl3NMolecular Weight: 182.435080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CNLIIAKAAMFCJG-UHFFFAOYSA-N

• 2,3-Dihydro-2,2-Dimethyl-7-Benzofuranol Methylcarbamate
IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate | CAS Registry Number: 1563-66-2
Synonyms: carbofuran, Furadan, Curaterr, Yaltox, Carbofurane, Pillarfuran, Crisfuran, Kenofuran, Chinufur, Furacarb, Brifur, Furadan 3G, Furodan, Furadan G, Furadan 4f, Karbofuranu [Polish], Niagara 10242, Caswell No. 160A, Niagara nia-10242, Spectrum_001895

Molecular Formula: C12H15NO3Molecular Weight: 221.252400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DUEPRVBVGDRKAG-UHFFFAOYSA-N

• 2,3-Dimethyl-4-Nitropyridine-N-Oxide
IUPAC Name: 2,3-dimethyl-4-nitro-1-oxidopyridin-1-ium | CAS Registry Number: 37699-43-7
Synonyms: 559849_ALDRICH, 4-Nitro-2,3-lutidine-N-oxide, 2,3-Dimethyl-4-nitropyridine 1-oxide, BRN 1569438, ZINC04831092, 4-Nitro-2,3-dimethylpyridine N-oxide, Pyridine, 2,3-dimethyl-4-nitro-, 1-oxide, LS-131487, ST5408449, TL8002771

Molecular Formula: C7H8N2O3Molecular Weight: 168.150020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CFMTVTYBZMKULI-UHFFFAOYSA-N

• 2,4,6-Tribromophenol
IUPAC Name: 2,4,6-tribromophenol | CAS Registry Number: 118-79-6
Synonyms: 2,4,6-tribromophenol, Tribromophenol, Bromkal pur 3, Bromol, Xeroform, Flammex 3BP, Phenol, 2,4,6-tribromo-, 1e5a, C6H3Br3O, BISMUTH TRIBROMOPHENATE, WLN: QR BE DE FE, CCRIS 1658, TA 10, HSDB 5584, MLS002152858, 137715_ALDRICH, 36918_RIEDEL, 442304_SUPELCO, NSC 2136, 90730_FLUKA

Molecular Formula: C6H3Br3OMolecular Weight: 330.799420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N

• 2,4,6-Trimethyl Benzophenone
IUPAC Name: phenyl-(2,4,6-trimethylphenyl)methanone | CAS Registry Number: 954-16-5
Synonyms: Ketone, mesityl phenyl, Mesityl phenyl ketone, Esacure TZT 100, Ambap1218, mesityl-phenyl-methanone, Mesitylene, 2-benzoyl-, 2,4,6-Trimethylbenzophenone, Benzophenone, 2,4,6-trimethyl-, NSC26923, 2,4,6-Trimethylbenzofenon [Dutch], 2,4,6-Trimethylbenzophenon [Danish], 2,4,6-Trimethylbenzophenon [German], 2,4,6-Trimetilbenzofenona [Spanish], 2,4,6-Trimetilbenzofenone [Italian], 2,4,6-Trimethylbenzophenone [French], Methanone, phenyl(2,4,6-trimethylphenyl)-, 2,4,6-Trimetilbenzofenona [Portuguese], EE4031509

Molecular Formula: C16H16OMolecular Weight: 224.297640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HPAFOABSQZMTHE-UHFFFAOYSA-N

• 2,4-D Butyl ester
IUPAC Name: butyl 2-(2,4-dichlorophenoxy)acetate | CAS Registry Number: 94-80-4
Synonyms: Fernesta, Lironox, Butapon, Component Orange, Purple Component, The Crop Rider, Esso Herbicide 10, Butyl ester 2,4-D, Line Rider 4T, Shell 40, 2,4-D n-butyl ester, Orange II Component, Lironox 326, Weed-Rhap B-4D, Weed-Rhap B-6D, Miller's 4# Ester, Miller's 6# Ester, Butyl 2,4-D, 2,4-D esters, Butyl ester of 2,4-D

Molecular Formula: C12H14Cl2O3Molecular Weight: 277.143760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UQMRAFJOBWOFNS-UHFFFAOYSA-N

• 2,4-Dibromo thiophene
IUPAC Name: 2,4-dibromothiophene | CAS Registry Number: 3140-92-9
Synonyms: 2,4-Dibromothiophene, Thiophene, 2,4-dibromo-, ZINC02168779, CID2724560, ST5405449, TL8002398, InChI=1/C4H2Br2S/c5-3-1-4(6)7-2-3/h1-2

Molecular Formula: C4H2Br2SMolecular Weight: 241.931680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WAQFYSJKIRRXLP-UHFFFAOYSA-N

• 2,4-Dichloro-3,5-Dinitrobenzotrifluoride
IUPAC Name: 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene | CAS Registry Number: 29091-09-6
Synonyms: ZINC02168652, CID94398, EINECS 249-420-8, 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene, Benzene, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)-

Molecular Formula: C7HCl2F3N2O4Molecular Weight: 304.995050 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: DPQYRXNRGNLPFC-UHFFFAOYSA-N

• 2,5-Dihydroxy-1,4-dithiane
IUPAC Name: 1,4-dithiane-2,5-diol | CAS Registry Number: 40018-26-6
Synonyms: Dithian, 1,4-Dithiane-2,5-diol, p-Dithiane-2,5-diol, Mercaptoacetaldehyde dimer, 2,5-Dimethyl-1,4-dithiane, W382604_ALDRICH, 183954_ALDRICH, 10883_FLUKA, EINECS 254-751-6, NSC106280

Molecular Formula: C4H8O2S2Molecular Weight: 152.235120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YUIOPHXTILULQC-UHFFFAOYSA-N

• 2,5-Dimethylphenol
IUPAC Name: 2,5-dimethylphenol | CAS Registry Number: 95-87-4
Synonyms: p-Xylenol, 2,5-Xylenol, 6-Methyl-m-cresol, Phenol, 2,5-dimethyl-, 2,5-DIMETHYLPHENOL, 3,6-Dimethylphenol, 3,6-Xylenol, 2,5-Dimethyl phenol, 1,2,5-Xylenol, 2-Hydroxy-p-xylene, 2,5-Dmp, 1-Hydroxy-2,5-dimethylbenzene, CCRIS 722, FEMA No. 3595, 1,4-Dimethyl-2-hydroxybenzene, HSDB 5296, D174602_ALDRICH, W359505_ALDRICH, WLN: QR B1 E1, 36714_RIEDEL

Molecular Formula: C8H10OMolecular Weight: 122.164400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NKTOLZVEWDHZMU-UHFFFAOYSA-N

• 2,6-Dichloro Benzoxazole
IUPAC Name: 2,6-dichloro-1,3-benzoxazole | CAS Registry Number: 3621-82-7
Synonyms: 2,6-Dichlorobenzoxazole, EINECS 222-818-9, CID77175

Molecular Formula: C7H3Cl2NOMolecular Weight: 188.010820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LVVQTPZQNHQLOM-UHFFFAOYSA-N


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