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Shanghai Sochem International Co., Ltd.

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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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• 3-Hydroxy-5-methylisoxazole
IUPAC Name: 5-methyl-1,2-oxazol-3-one | CAS Registry Number: 10004-44-1
Synonyms: Hymexazol, Hymexazole, Itachigarden, Tachigaren, Hydroxyisoxazole, Bucide, Butsid, Bucid, 5-Methylisoxazol-3-ol, Hymexazol [BSI:ISO], 3-Isoxazolol, 5-methyl-, Hydroxyisoxazole (pesticide), 5-Methyl-3-hydroxyisoxazole, 5-methyl-3-isoxazolol, Isoxazole, 3-hydroxy-5-methyl-, 3(2H)-Isoxazolone, 5-methyl-, WLN: T5NOJ C1 EQ, H3275_SIGMA, 5-METHYL-3(2H)-ISOXAZOLONE, EINECS 233-000-6

Molecular Formula: C4H5NO2Molecular Weight: 99.088000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KGVPNLBXJKTABS-UHFFFAOYSA-N

• 5-(Bromomethyl)-alpha,alpha,alpha,alpha-tetramethyl-1,3-benzenediacetonitrile
IUPAC Name: 2-[3-(bromomethyl)-5-(2-cyanopropan-2-yl)phenyl]-2-methylpropanenitrile | CAS Registry Number: 120511-84-4
Synonyms: 3,5-bis(2-cyanoprop-2-yl)benzyl bromide, SBB054914, 2-[3-(bromomethyl)-5-(1-cyano-1-methylethyl)phenyl]-2-methylpropanenitrile, 5-bromomethyltetramethyl-1,3-benzenediacetonitrile, 2,2'-(5-(Bromomethyl)-1,3-phenylene)bis(2-methylpropanenitrile), 5-(Bromomethyl)-a,a,a ,a -tetramethyl-1,3-benzenediacetonitrile, zlchem 553, PubChem14362, AGN-PC-00ATFA, SureCN2258695, CTK7C5027, ZLC0418, MolPort-005-935-643, ANW-46630, ZINC21986320, AKOS015889686, AC-6804, AG-B-88288, 3,5-bis(2-cyanoprop-2-yl)benzylbromide, AK-56336

Molecular Formula: C15H17BrN2Molecular Weight: 305.212880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IHXHGCDOJLOZML-UHFFFAOYSA-N

• 2-(Chloromethyl)naphthalene
IUPAC Name: 2-(chloromethyl)naphthalene | CAS Registry Number: 2506-41-4
Synonyms: Naphthalene, 2-(chloromethyl)-, NSC408896, CID75632, EINECS 219-713-5, NSC 408896, ST5214183

Molecular Formula: C11H9ClMolecular Weight: 176.642160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MPCHQYWZAVTABQ-UHFFFAOYSA-N

• 5-[[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione
IUPAC Name: (5E)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 144809-28-9
Synonyms: 5-{4-[2-(5-Ethyl-2-pyridinyl)ethoxyl]benzyldene}-2,4-thiazolidinedione, 5-{4-[2-(5-Ethyl-pyridin-2-yl)-ethoxy]-benzylidene}-thiazolidine-2,4-dione, 5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-Thiazolidinedione, 5-(4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene)-2,4-thiazolidinedione, 5-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione, 5-[4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene]-2,4-thiazolidinedione, 5-{4-[2-(5-Ethyl-2-Pyridinyl)Ethoxy]Benzylidene}-2,4-Thiazolidinedione, 5-(4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzylidene)-thiazolidine-2,4-dione, 5-[4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzylidene]-thiazolidine-2,4-dione, 136401-70-2, PubChem20769, 5-[4-[2-(5-ETHYLPYRIDIN-2-YL)ETHOXY]BENZYLIDENE]THIAZOLIDINE-2,4-DIONE, ACT04261, ZINC16696707, AKOS015895595, AC-2054, AG-D-88171, RL01809, AK106084

Molecular Formula: C19H18N2O3SMolecular Weight: 354.422820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YNTUJOCADSTMCL-GZTJUZNOSA-N

• 3-Fluoro-5-nitro-1-trifluoromethylbenzene
IUPAC Name: 1-fluoro-3-nitro-5-(trifluoromethyl)benzene | CAS Registry Number: 454-73-9
Synonyms: 1-fluoro-3-nitro-5-(trifluoromethyl)benzene, 3-Fluoro-5-nitrobenzotrifluoride, 5-FLUORO-3-(TRIFLUOROMETHYL)NITROBENZENE, AGN-PC-00OOLD, SureCN1505899, CTK8B5605, MolPort-001-773-530, ANW-49273, ZINC08699859, AKOS015890564, AC-5754, RP26490, 3-Fluoro-5-trifluoromethyl nitrobenzene, 3-Fluoro-5-(trifluoromethyl)nitrobenzene, AK-38445, BR-38445, KB-31927, AM20050182, FT-0687065, W6366

Molecular Formula: C7H3F4NO2Molecular Weight: 209.097833 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: RKLBCPTURHSIOJ-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

• 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

• 2-(2-Ethoxy-Phenoxy)-Ethylamine
IUPAC Name: 2-(2-ethoxyphenoxy)ethanamine | CAS Registry Number: 6781-17-5
Synonyms: 2-(2-Ethoxy-phenoxy)-ethylamine, MolPort-000-150-119, CID5303042, FS011328, A3997/0170360

Molecular Formula: C10H15NO2Molecular Weight: 181.231600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OOKCBENPEIHOJG-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

• 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-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

• 5-[2-Chloro-4-(Trifluoromethyl)-Phenoxy]-2-Nitrobenzoic Acid
IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid | CAS Registry Number: 50594-66-6
Synonyms: Acifluorfen, Acifluorfene, Tackle, Carbofluorfen, Scifluorfen, Blazer, Acifluorfen [BSI:ISO], Acifluorfene [ISO-French], PS1016_SUPELCO, C14H7ClF3NO5, CCRIS 3491, MLS001066351, 34311_RIEDEL, EINECS 256-634-5, PPG-847, CID44073, BRN 2953865, LS-7176, RH 6201, RH-6201

Molecular Formula: C14H7ClF3NO5Molecular Weight: 361.657290 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: NUFNQYOELLVIPL-UHFFFAOYSA-N

• (+)-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

• 3-Chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
IUPAC Name: 3-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one | CAS Registry Number: 86499-23-2
Synonyms: 3-chloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, 3-Chloro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, AGN-PC-00LNTQ, SureCN7430237, KSC494E6N, CHEMBL66819, CTK3J4266, MolPort-020-001-877, ANW-66748, AKOS006331603, AG-H-48944, AK-98828, R470, KB-181392, FT-0688172, M-2315, 3-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one, A841686, 3-chloro-1,3,4,5-tetrahydro-[1]benzazepin-2-one, 3-chloranyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Molecular Formula: C10H10ClNOMolecular Weight: 195.645500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VOEMRDMQXDUFDU-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-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

• 2,6-Dichloro-4-Amino Phenol
IUPAC Name: 4-amino-2,6-dichlorophenol | CAS Registry Number: 5930-28-9
Synonyms: 2,6-Dichloro-p-aminophenol, 4-Amino-2,6-dichlorophenol, 2,6-Dichloro-4-aminophenol, Phenol, 4-amino-2,6-dichloro-, 3,5-Dichloro-4-hydroxyaniline, A48407_ALDRICH, EINECS 227-671-4, ZINC00157166, NSC 156835, CID80037, NSC156835, SBB003766, 4-AMINO-2,6-DICHLOROPHENOL HCl, NCGC00164211-01, LS-103889, InChI=1/C6H5Cl2NO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H, 42486-53-3

Molecular Formula: C6H5Cl2NOMolecular Weight: 178.016000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KGEXISHTCZHGFT-UHFFFAOYSA-N

• 2-Amino-4,6-Dimethoxypyrimidine
IUPAC Name: 4,6-dimethoxypyrimidin-2-amine | CAS Registry Number: 36315-01-2
Synonyms: Maybridge1_002259, 2-Amino-4,6-dimethoxypyrimidine, Oprea1_751622, 375349_ALDRICH, 4,6-Dimethoxypyrimidin-2-amine, 2-Pyrimidinamine, 4,6-dimethoxy-, EINECS 252-969-6, SBB006932, ZINC00132738, SR-01000634114-1

Molecular Formula: C6H9N3O2Molecular Weight: 155.154560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LVFRCHIUUKWBLR-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

• 2-(Trifluoromethoxy)aniline
IUPAC Name: 2-(trifluoromethoxy)aniline | CAS Registry Number: 1535-75-7
Synonyms: 464279_ALDRICH, Benzenamine, 2-(trifluoromethoxy)-, JRD-0646, EINECS 216-257-9, SBB006602, ZINC00163283, alpha,alpha,alpha-Trifluoro-o-anisidine, SDCCGMLS-0066223.P001, TL8001148

Molecular Formula: C7H6F3NOMolecular Weight: 177.123850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZFCOUBUSGHLCDT-UHFFFAOYSA-N

• 2-(2-Methoxyphenoxy)ethylamine
IUPAC Name: 2-(2-methoxyphenoxy)ethanamine | CAS Registry Number: 1836-62-0
Synonyms: 2-(2-methoxyphenoxy)ethanamine, ALBB-008911, CID1713005, FS011323, ST5407583, TL8001479, AG-205/25005637, EC-000.1967, [2-(2-methoxyphenoxy)ethyl]amine hydrochloride

Molecular Formula: C9H13NO2Molecular Weight: 167.205020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CKJRKLKVCHMWLV-UHFFFAOYSA-N

• 3-(Trifluoromethyl)benzoyl fluoride
IUPAC Name: 3-(trifluoromethyl)benzoyl fluoride | CAS Registry Number: 328-99-4
Synonyms: m-Trifluoromethylbenzoyl fluoride, 3-Trifluoromethyl-benzoyl fluoride, m-(Trifluoromethyl)benzoyl fluoride, CID67606, NSC93822, Benzoyl fluoride, 3-(trifluoromethyl)-, EINECS 206-340-8, NSC 93822, ZINC01609515, ST5409988, m-Toluoyl fluoride, .alpha.,.alpha.,.alpha.-trifluoro-, m-Toluoyl fluoride, alpha,alpha,alpha-trifluoro- (8CI)

Molecular Formula: C8H4F4OMolecular Weight: 192.110373 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LTHOSILCKUBBIS-UHFFFAOYSA-N

• 2-(4-Hydroxyphenoxy)propionic acid
IUPAC Name: 2-(4-hydroxyphenoxy)propanoic acid | CAS Registry Number: 67648-61-7
Synonyms: D-HPPA, 328995_ALDRICH, NSC522955, SBB006616, Propanoic acid, 2-(4-hydroxyphenoxy)-, (R)-2-(4-Hydroxyphenoxy)propionic acid, EE4079603, TL8004765, (R)-2-(4-Hydroxyfenoxy)propionzuur [Dutch], (R)-2-(4-Hydroxyphenoxy)propionsyre [Danish], (R)-2-(4-Hydroxyphenoxy)propionsaure [German], Acido (R)-2-(4-hidroxifenoxi)propionico [Spanish], Acide (R)-2-(4-hydroxyphenoxy)propionique [French], Acido (R)-2-(4-hidroxifenoxi)propionico [Portuguese], Acido (R)-2-(4-idrossifenossi)propionico [Italian]

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: AQIHDXGKQHFBNW-UHFFFAOYSA-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

• 4-Benzoylbiphenyl
IUPAC Name: phenyl-(4-phenylphenyl)methanone | CAS Registry Number: 2128-93-0
Synonyms: 4-Phenylbenzophenone, p-Benzoylbiphenyl, p-Phenylbenzophenone, Benzophenone, 4-phenyl-, Trigonal 12, Eusolex 3490, 4-Diphenyl phenyl ketone, 4-Diphenylphenyl ketone, p-Biphenylyl phenyl ketone, Phenyl p-biphenylyl ketone, 4-Biphenylyl phenyl ketone, Maybridge4_000539, NCIOpen2_001988, B12601_ALDRICH, EINECS 218-345-2, NSC 55283, NSC 97365, Methanone, [1,1'-biphenyl]-4-ylphenyl-, NSC55283, NSC97365

Molecular Formula: C19H14OMolecular Weight: 258.313860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LYXOWKPVTCPORE-UHFFFAOYSA-N

• 2,6-Dichloro-4-Trifluoromethyl Aniline
IUPAC Name: 2,6-dichloro-4-(trifluoromethyl)aniline | CAS Registry Number: 24279-39-8
Synonyms: 4-Amino-3,5-dichlorobenzotrifluoride, 408190_ALDRICH, SBB003283, ZINC00056905, 2,6-Dichloro-4-(trifluoromethyl)aniline, TL8001998, D1236, InChI=1/C7H4Cl2F3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H

Molecular Formula: C7H4Cl2F3NMolecular Weight: 230.014570 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ITNMAZSPBLRJLU-UHFFFAOYSA-N

• 3-Chloro-2,2-dimethylpropionyl chloride
IUPAC Name: 3-chloro-2,2-dimethylpropanoyl chloride | CAS Registry Number: 4300-97-4
Synonyms: 3-Chloropivaloyl chloride, beta-Chloropivaloyl chloride, CHLOROPIVALOYL CHLORIDE, 225703_ALDRICH, CID61345, EINECS 224-311-8, NA9263, ZINC01850836, 3-Chloro-2,2-dimethylpropaneyl chloride, 3-chloro-2,2-dimethylpropanoyl chloride, Propanoyl chloride, 3-chloro-2,2-dimethyl-, Chloropivaloyl chloride [NA9263] [Poison]

Molecular Formula: C5H8Cl2OMolecular Weight: 155.022420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MQZNDDUMJVSIMH-UHFFFAOYSA-N

• 2-(Nitroimino)imidazolidine
IUPAC Name: N-(4,5-dihydro-1H-imidazol-3-ium-2-yl)nitramide | CAS Registry Number: 5465-96-3
Synonyms: ZINC01628120, CID5539139

Molecular Formula: C3H7N4O2+Molecular Weight: 131.113280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: DJZWNSRUEJSEEB-UHFFFAOYSA-O

• 2-Methyl-3-biphenylmethanol
IUPAC Name: (2-methyl-3-phenylphenyl)methanol | CAS Registry Number: 76350-90-8
Synonyms: 361631_ALDRICH, (2-Methyl-3-biphenylyl)methanol, (1,1'-Biphenyl)-3-methanol, 2-methyl-, (2-Methyl[1,1'-biphenyl]-3-yl)methanol, TL8005215

Molecular Formula: C14H14OMolecular Weight: 198.260360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BGTLHJPGBIVQLJ-UHFFFAOYSA-N

• 2-Cyaniminothiazolidine
IUPAC Name: 4,5-dihydro-1,3-thiazol-2-ylcyanamide | CAS Registry Number: 26364-65-8
Synonyms: 2-Cyanoimino-1,3-thiazolidine, 4,5-dihydro-1,3-thiazol-2-ylcyanamide, 2-(Cyanoimino)thiazolidine, PubChem13590, AC1MV1NH, Jsp005183, CTK8B4352, 4,5-dihydrothiazol-2-ylcyanamide, MolPort-002-887-816, (Z)-thiazolidin-2-ylidene-cyanamide, AC-287, ANW-44793, BD2289, AKOS006276470, N-(1,3-thiazolan-2-yliden)cyanamide, MCULE-4571931190, MS-3389, AK-34441, FT-0638596, M-3479

Molecular Formula: C4H5N3SMolecular Weight: 127.167600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WTUAWWLVVCGTRG-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

• 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

• 2,6-Difluorobenzamide
IUPAC Name: 2,6-difluorobenzamide | CAS Registry Number: 18063-03-1
Synonyms: Benzamide, 2,6-difluoro-, Ambap1714, 282278_ALDRICH, EINECS 241-972-8, ZINC00152949, CID87439, JRD-0429, LS-26492, TL8001442, InChI=1/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11

Molecular Formula: C7H5F2NOMolecular Weight: 157.117506 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AVRQBXVUUXHRMY-UHFFFAOYSA-N

• 4-Methylmercapto-3-Methylphenyldimethylthiophosphate
IUPAC Name: dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-$l^{5}-phosphane | CAS Registry Number: 55-38-9
Synonyms: fenthion, Mercaptophos, Baytex, Lebaycid, Sulfidophos, Fenthione, Phenthion, Queletox, Figuron, Spotton, Talodex, Tiguvon, Baycid, Entex, Fenthion-methyl, Mercaptofos, Bay-Bassa, Lebayeid, Thiophos, Spotten

Molecular Formula: C10H15O3PS2Molecular Weight: 278.328061 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PNVJTZOFSHSLTO-UHFFFAOYSA-N

• 7-Hydroxyisoquinoline
IUPAC Name: isoquinolin-7-ol | CAS Registry Number: 7651-83-4
Synonyms: 7-Isoquinolinol, AIDS020734, AIDS-020734, CID459767, ZINC00332571, RTE2_000003, AE-641/31638060

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WCRKBMABEPCYII-UHFFFAOYSA-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

• 5-Chloro-1-indanone
IUPAC Name: 5-chloro-2,3-dihydroinden-1-one | CAS Registry Number: 42348-86-7
Synonyms: 433071_ALDRICH, ZINC00085658, 1H-Inden-1-one, 5-chloro-2,3-dihydro-, ST5405394, TL8003019

Molecular Formula: C9H7ClOMolecular Weight: 166.604280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MEDSHTHCZIOVPU-UHFFFAOYSA-N

• 4,6-Dichloro-5-methoxypyrimidine
IUPAC Name: 4,6-dichloro-5-methoxypyrimidine | CAS Registry Number: 5018-38-2
Synonyms: EINECS 225-699-1, NSC252184, Pyrimidine, 4,6-dichloro-5-methoxy-, TL8003327

Molecular Formula: C5H4Cl2N2OMolecular Weight: 179.004060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IJQIGKLDBGKSNT-UHFFFAOYSA-N

• 4-Nitrobenzyl Chloroformate
IUPAC Name: (4-nitrophenyl)methyl carbonochloridate | CAS Registry Number: 4457-32-3
Synonyms: 4-Nitrobenzyl chloroformate, 4-Nitrocarbobenzoxychloride, 222801_ALDRICH, EINECS 224-708-6, ZINC02567962, Formic acid, chloro-, p-nitrobenzyl ester, Carbonochloridic acid, (4-nitrophenyl)methyl ester, TL8003108

Molecular Formula: C8H6ClNO4Molecular Weight: 215.590540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MHSGOABISYIYKP-UHFFFAOYSA-N

• 4-Sulfonamide Phenyl Hydrazine HCl
IUPAC Name: 4-hydrazinylbenzenesulfonamide;hydrochloride | CAS Registry Number: 27918-19-0
Synonyms: 17852-52-7, 4-hydrazinobenzene-1-sulfonamide hydrochloride, 4-hydrazinylbenzenesulfonamide Hydrochloride, 4-Hydrazinobenzenesulfonamide Hydrochloride, 4-sulfonamidephenylhydrazine hcl, 4-Aminosulfonylphenylhydrazine hydrochloride, 4-Sulfonamidophenylhydrazine hydrochloride, 4-Hydrazino-benzenesulfonamide hydrochloride, 4-hydrazinobenzene-1-sulfonamide hcl, 4-sulfonamide-phenylhydrazine hydrochloride, PubChem6410, PubChem19838, AC1MDRE2, AC1Q3DGK, ACMC-1BON1, SureCN981171, KSC174G7L, CTK0H4375, 4-hydrazinobenzenesulphonamide hcl, 4-hydrazinobenzene sulfonamide hcl

Molecular Formula: C6H10ClN3O2SMolecular Weight: 223.680500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: IKEURONJLPUALY-UHFFFAOYSA-N

• 5-(4-Chlorobutyl)-1-Cyclohexyl Tetrazole
IUPAC Name: 5-(4-chlorobutyl)-1-cyclohexyltetrazole | CAS Registry Number: 73963-42-5
Synonyms: 5-(4-Chlorobutyl)-1-Cyclohexyl-1H-Tetrazole, 1-Cyclohexyl-5-(4-chlorobutyl)-1H-tetrazole, 5-(4-CHLOROBUTYL)-1-CYCLOHEXANYL TETRAZOLE, AG-G-93353, 5-(4-Chlorobuty)-1-cyclohexyl tetrazole, 5-(4-Chlorobutyl)-1-cyclohexyl-1H-teterzole, 1H-Tetrazole, 5-(4-chlorobutyl)-1-cyclohexyl-, 5-(4-Chlorobuty)-1-cyclohexyltetrazol, PubChem9175, 5-(4-chlorobutyl)-1-cyclohexyl-tetrazole, ACMC-1BCKF, SureCN1031402, KSC639A0J, TET002, AGN-PC-004M08, CTK5D9004, MolPort-001-768-539, ANW-36420, RW2768, SBB070864

Molecular Formula: C11H19ClN4Molecular Weight: 242.748360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: INTQSGGUSUSCTJ-UHFFFAOYSA-N

• 3-(Trifluoromethyl)thiobenzamide
IUPAC Name: 3-(trifluoromethyl)benzenecarbothioamide | CAS Registry Number: 53515-17-6
Synonyms: 3-Trifluoromethylthiobenzamide, 3-(trifluoromethyl)benzenecarbothioamide, 3-(trifluoromethyl)thiobenzamide, SBB066541, 3-(trifluoromethyl)benzene-1-carbothioamide, amino[3-(trifluoromethyl)phenyl]methane-1-thione, ZINC00121170, ACMC-20amye, PubChem5483, AC1MCS0V, AC1Q4ZYH, Maybridge1_008312, 3-trifluoromethyl thiobenzamide, 3-trifluoromethyl-thiobenzamide, CTK4J8290, HMS565B18, MolPort-000-159-166, AKOS000134205, AG-A-54335, AK-35537

Molecular Formula: C8H6F3NSMolecular Weight: 205.200150 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WOJQBHSZMFRQIR-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

• 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, 3-(4-methylbenzenesulfonate), (3S,4R)-
IUPAC Name: [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 317323-77-6
Synonyms: Paroxol Tosylate, CTK4G7651, AG-F-05882, FT-0673526, (3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol Tosylate, (3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol 3-(4-Methylbenzenesulfonate), 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, 3-(4-methylbenzenesulfonate), (3S,4R)-, 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, 4-methylbenzenesulfonate (ester), (3S,4R)- (9CI);

Molecular Formula: C20H24FNO3SMolecular Weight: 377.472863 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LYVSPZZHZZMALL-PXNSSMCTSA-N

• 2-Chloro-1,1,1-trimethoxyethane
IUPAC Name: 2-chloro-1,1,1-trimethoxyethane | CAS Registry Number: 74974-54-2
Synonyms: Trimethyl chloro-orthoacetate, 1,1,1-Trimethoxy-2-chloroethane, 437948_ALDRICH

Molecular Formula: C5H11ClO3Molecular Weight: 154.592040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NPEIUNVTLXEOLT-UHFFFAOYSA-N

• 2-Amino-3-chloro-5-(trifluoromethyl)pyridine
IUPAC Name: 3-chloro-5-(trifluoromethyl)pyridin-2-amine | CAS Registry Number: 79456-26-1
Synonyms: 3-Chloro-5-(trifluoromethyl)pyridin-2-amine, 2-Amino-3-chloro-5-trifluoromethylpyridine, 3-Chloro-5-(trifluoromethyl)-2-pyridinamine, 2-Amino-3-chloro-5-trifluoropyridine, AG-G-86017, 3-chloro-5-(trifluoromethyl)-2-pyridylamine, PubChem2974, ACMC-1BCWJ, SureCN119730, AC1LCV49, KSC377A4D, 366080_ALDRICH, AC1Q52U5, CTK2H7041, WXNPZQIRDCDLJD-UHFFFAOYSA-, MolPort-000-145-987, 2,3,5-ACTF, BB_SC-9429, HMS1648N07, ACN-S002578

Molecular Formula: C6H4ClF3N2Molecular Weight: 196.557570 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: WXNPZQIRDCDLJD-UHFFFAOYSA-N

• 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole
IUPAC Name: 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride | CAS Registry Number: 84163-13-3
Synonyms: 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride, 6-Fluoro-3-piperid-4-yl-1,2-benzisoxazole HCl, 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole HCl, 6-Fluoro-3-(4-piperidyl)-1,2-benzisoxazole hydrochloride, 4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine hydrochloride, 6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazolehydrochloride, 6-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole hydrochloride, 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride, 6-Fluoro-3-piperidin-4-yl-1,2-benzisoxazole hydrochloride, R-56109 hydrochloride, SureCN531052, UNII-X3U18DS1Y7, AGN-PC-0070EP, CTK3J8204, MolPort-000-847-414, BB_SC-4607, ACN-S003860, ACT02050, ANW-50685, RW2416

Molecular Formula: C12H14ClFN2OMolecular Weight: 256.703763 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CWPSRUREOSBKBQ-UHFFFAOYSA-N

• 3-(1-Piperazinyl)-1,2-benzisothiazole
IUPAC Name: 3-piperazin-1-yl-1,2-benzothiazole | CAS Registry Number: 87691-87-0
Synonyms: 3-(piperazin-1-yl)benzo[d]isothiazole, 3-Piperazin-1-yl-benzo[d]isothiazole, 3-(piperazin-1-yl)-1,2-benzothiazole, 3-Piperazinyl-1,2-benzisothiazole, 4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINE, 3-PIPERAZIN-1-YL-1,2-BENZISOTHIAZOLE, 3-piperazinylbenzo[d]isothiazole, 3-Piperazin-1-yl-benzo(d)isothiazole, 3-(Piperazin-1-yl)benzo(d)isothiazole, ZERO/005869, BITP, ACMC-209qpf, SureCN250876, AC1MCL06, CHEMBL1154, UNII-59D8RAT1F9, KSC447S9J, CTK3E7994, N-(3-Benzisothiazolyl)piperazine, 3-PIPERAZINOBENZISOTHIAZOLE

Molecular Formula: C11H13N3SMolecular Weight: 219.306020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KRDOFMHJLWKXIU-UHFFFAOYSA-N

• 5-bromo-m-xylene
IUPAC Name: 1-bromo-3,5-dimethylbenzene | CAS Registry Number: 556-96-7
Synonyms: 5-Bromo-m-xylene, m-Xylene, 5-bromo-, Benzene, 1-bromo-3,5-dimethyl-, 1-Bromo-3,5-dimethylbenzene, 276316_ALDRICH, CID136357, ST5405132, TL8003633, InChI=1/C8H9Br/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H

Molecular Formula: C8H9BrMolecular Weight: 185.061060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LMFRTSBQRLSJHC-UHFFFAOYSA-N

• 3-Bromomethyl-1,2-Benzisoxazole
IUPAC Name: 3-(bromomethyl)-1,2-benzoxazole | CAS Registry Number: 37924-85-9
Synonyms: 3-(Bromomethyl)-1,2-benzisoxazole, 3-(bromomethyl)-1,2-benzoxazole, AC1MRVC9, 3-Bromomethylbenzisoxazole, 3-bromomethyl benzisoxazole, SureCN692195, 3-bromoethylbenzo[o]isoxazole, 3-bromomethyl-benzo[d]isoxazole, Jsp006674, CTK4H9022, ACN-S001694, AC-178, ZINC02509747, 1,2-Benzisoxazole,3-(bromomethyl)-, AKOS015936127, AG-F-33478, AB1004765, KB-178449, FT-0663771, A-2489

Molecular Formula: C8H6BrNOMolecular Weight: 212.043340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MAIKTETULSZRED-UHFFFAOYSA-N


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