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Shanghai Sochem International Co., Ltd.

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Contact: Mr.John Xu
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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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• 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

• 3-Hydroxybenzoic acid
IUPAC Name: 3-hydroxybenzoic acid | CAS Registry Number: 99-06-9
Synonyms: 3-Carboxyphenol, m-Salicylic acid, M-HYDROXYBENZOIC ACID, m-Hba, Benzoic acid, 3-hydroxy-, Benzoic acid, m-hydroxy-, 3-Hydroxybenzoate, 3pcb, Enamine_005356, H20008_ALDRICH, Acido m-idrossibenzoico [Italian], Kyselina 3-hydroxybenzoova [Czech], 54610_FLUKA, 54620_FLUKA, CHEBI:30764, EINECS 202-726-5, NSC 55746, AIDS018037, AIDS-018037, NSC55746

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IJFXRHURBJZNAO-UHFFFAOYSA-N

• 4-Methylbenzophenone
IUPAC Name: (4-methylphenyl)-phenylmethanone | CAS Registry Number: 134-84-9
Synonyms: p-Benzoyltoluene, p-Methylbenzophenone, Phenyl p-tolyl ketone, 4-Methyl benzophenone, p-Benzophenone, methyl-, BENZOPHENONE, 4-METHYL-, Methanone, (4-methylphenyl)phenyl-, USAF DO-54, WLN: 1R DVR, M29959_ALDRICH, NSC 4898, EINECS 205-159-1, (4-Methyphenyl)(phenyl)methanone, NSC4898, (4-Methylphenyl)(phenyl)methanone, AI3-18452, NCGC00164221-01, LS-38942

Molecular Formula: C14H12OMolecular Weight: 196.244480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WXPWZZHELZEVPO-UHFFFAOYSA-N

• 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

• 3-Amino-4-Cyanopyrazole
IUPAC Name: 5-amino-1H-pyrazole-4-carbonitrile | CAS Registry Number: 16617-46-2
Synonyms: 3-Amino-4-cyanopyrazole, 5-Amino-4-cyanopyrazole, 3-Amino-4-pyrazolecarbonitrile, 3-Aminopyrazole-4-nitrile, 3-Aminopyrazole-4-carbonitrile, 5-Aminopyrazole-4-carbonitrile, 153044_ALDRICH, Pyrazole-4-carbonitrile, 3-amino-, 5-amino-1H-pyrazole-4-carbonitrile, ZERO/001752, 3-Amino-1H-pyrazole-4-carbonitrile, BB_SC-3265, 1H-Pyrazole-4-carbonitrile, 3-amino-, NSC44932, EINECS 240-665-6, NSC 44932, ZINC01069844, TL8001275, AE-473/31199025, 103013-86-1

Molecular Formula: C4H4N4Molecular Weight: 108.101360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FFNKBQRKZRMYCL-UHFFFAOYSA-N

• 6-Mercaptopurine
IUPAC Name: 3,7-dihydropurine-6-thione | CAS Registry Number: 50-44-2
Synonyms: mercaptopurine, Mercapurin, Leupurin, Mercaleukin, Purinethiol, Purinethol, Leukerin, 6-Mercaptopurin, Ismipur, 6-Thioxopurine, 6-Purinethiol, 6-Thiopurine, Mern, Mercaleukim, Purimethol, Leukeran, Puri-Nethol, 6-Thiohypoxanthine, Purine-6-thiol, 3H-Purine-6-thiol

Molecular Formula: C5H4N4SMolecular Weight: 152.177060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GLVAUDGFNGKCSF-UHFFFAOYSA-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

• 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

• 4-Amino-3,5-dichloro-2,6-difluoropyridine
IUPAC Name: 3,5-dichloro-2,6-difluoropyridin-4-amine | CAS Registry Number: 2840-00-8
Synonyms: ZINC01840989, CID76089, EINECS 220-630-1, SBB000376, 3,5-Dichloro-2,6-difluoropyridin-4-amine, 4-Pyridinamine, 3,5-dichloro-2,6-difluoro-

Molecular Formula: C5H2Cl2F2N2Molecular Weight: 198.985586 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BEGINUFBBRTGBH-UHFFFAOYSA-N

• 5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
IUPAC Name: 5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide | CAS Registry Number: 31127-80-7
Synonyms: Iohexol Intermediate, 5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, 5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide, 5-acetylamino-N,N'-bis-(2,3-dihydroxy-propyl)-2,4,6-triiodo-isophthalamide, 5-Acetamido-N,N -bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide, HYDROLYSATE, PubChem18658, ACMC-1AFS9, Jsp005829, CTK8B1435, MolPort-003-844-389, ANW-27037, AKOS015900494, AB43488, AC-2654, AG-F-03270, AK-78748, KB-73047, Q962, FT-0638951

Molecular Formula: C16H20I3N3O7Molecular Weight: 747.059310 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 7

InChIKey: BHCBLTRDEYPMFZ-UHFFFAOYSA-N

• 4-Amino-2-trifluoromethylbenzonitrile
IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile | CAS Registry Number: 654-70-6
Synonyms: 5-Amino-2-cyanobenzotrifluoride, 631752_ALDRICH, 3-Amino-6-cyanobenzotrifluoride, 4-Cyano-3-trifluoromethylaniline, 4-Amino-2-(trifluoromethyl)benzonitrile, ZINC00162833, 4-cyano-3-(trifluoromethyl)aniline, CID522170, A115, ST5408134, TL8004650

Molecular Formula: C8H5F3N2Molecular Weight: 186.133910 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: PMDYLCUKSLBUHO-UHFFFAOYSA-N

• 6,7-Dimethoxy-L-1,2,3,4-Tetrahydroisoquinoline 3-Carboxylic Acid Hydrochloride
IUPAC Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate | CAS Registry Number: 103733-66-0
Synonyms: ZINC00404044, ZINC00404045, CID6951266

Molecular Formula: C12H15NO4Molecular Weight: 237.251800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BWYXEHBJIMGDEB-VIFPVBQESA-N

• (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

• 5-(2-Aminopropyl)-2-methoxybenzenesulfonamide
IUPAC Name: 5-(2-aminopropyl)-2-methoxybenzenesulfonamide | CAS Registry Number: 112244-38-9
Synonyms: 5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE, 112101-81-2, R-(-)-5-(2-Amino-propyl)-2-methoxybenzenesulfonamide, R-(-)-5-[2(2-Amino-2-Methyl)Ethyl]-2- Methory Benzene Sulfonamide, 5-[2-Aminopropyl]-2-methoxybenzenesulfonamide, AGN-PC-00LALO, ACMC-20a14k, Benzenesulfonamide,5-[(2R)-2-aminopropyl]-2-methoxy-, R-(-)-5-(2-Amino-propyl)-2-methoxy-benzenesulfonamide, SureCN1412240, 5-[(2R)-2-AMINOPROPYL]-2-METHOXYBENZENESULFONAMIDE, MolPort-003-848-659, ANW-51025, AKOS015914394, AC-5617, AK-25296, R253, KB-195581, 5-(2-Aminopropyl)-2-methoxybenzenesulphonamide, M-1660

Molecular Formula: C10H16N2O3SMolecular Weight: 244.310640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: IORITYIZDHJCGT-UHFFFAOYSA-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

• 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

• 4-Methyl-2-propyl-1H-benzimidazole-6-carboxyboxylic acid
IUPAC Name: 7-methyl-2-propyl-3H-benzimidazole-5-carboxylic acid | CAS Registry Number: 152628-03-0
Synonyms: 4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid, 4-Methyl-2-propyl-6-benzimidazolecarboxylic Acid, 4-Methyl-2-propyl-1H-benzo[d]imidazole-6-carboxylic acid, 2-n-propyl-4-methyl-6-carboxy benzimidazole, 1H-Benzimidazole-5-carboxylic acid, 7-methyl-2-propyl-, 1H-Benzimidazole-5-carboxylicacid, 7-methyl-2-propyl-, zlchem 378, PubChem8376, ACMC-20aj4a, SureCN158112, SureCN158113, KSC174I8N, BEN034, BEN587, Jsp002945, CTK0H4486, ZLC0222, MolPort-003-844-710, ACN-S004356, ACT02016

Molecular Formula: C12H14N2O2Molecular Weight: 218.251760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XWAJTVCEILFDGU-UHFFFAOYSA-N

• 4-(2-Piperidinoethoxy)benzoic acid hydrochloride
IUPAC Name: 4-(2-piperidin-1-ylethoxy)benzoic acid;hydrochloride | CAS Registry Number: 166975-76-4
Synonyms: 84449-80-9, 4-[2-(1-Pipiridine)ethoxybenzoic acid hydrochloride, 4-(2-(Piperidin-1-yl)ethoxy)benzoic acid hydrochloride, 4-(2-Piperidin-1-Yl-Ethoxy)Benzoic acid hydrochloride, 4-(2-piperidin-1-ylethoxy)benzoic acid hydrochloride, 4-(2-Piperidin-1-yl-ethoxy)-benzoic acid hydrochloride, 4-[2-(piperidin-1-yl)ethoxy]benzoic acid hydrochloride, AC1NX4VH, SureCN228100, DSSTox_CID_31630, DSSTox_RID_97514, DSSTox_GSID_57841, KSC652G4N, CTK5F2346, MolPort-000-150-118, BB_SC-7550, Benzoic acid, 4-(2-(1-piperidinyl)ethoxy)-, hydrochloride, EINECS 282-882-9, Tox21_113785, ANW-51361

Molecular Formula: C14H20ClNO3Molecular Weight: 285.766500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CMVTYSMYHSVDIU-UHFFFAOYSA-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

• 5-(2-Fluorophenyl)-1H-tetrazole
IUPAC Name: 5-(2,6-dichlorophenyl)-2H-tetrazole | CAS Registry Number: 50907-31-8
Synonyms: 5-(2,6-Dichlorophenyl)-1H-tetrazole, 5-(2,6-dichlorophenyl)-2H-tetrazole, 5-(2,6-dichlorophenyl)-1H-1,2,3,4-tetrazole, 5-(2,6-dichlorophenyl)-1H-1,2,3,4-tetraazole, Maybridge1_003804, AC1MDBFE, ACMC-20ama2, SCHEMBL5815118, CTK6H2932, CTK6H2935, HMS552E20, RLXQNTWJPTUTCL-UHFFFAOYSA-N, ZINC116114, 4530AE, 4531AE, MFCD00808036, SBB054216, AKOS022170075, AKOS023093260, FCH1323410

Molecular Formula: C7H4Cl2N4Molecular Weight: 215.037 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RLXQNTWJPTUTCL-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

• 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-(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

• 3-Acetoxy-O-Toluic Acid (CAS: 168399-58-9)
• 4-Bromomethyl-Biphenyl-2-Carboxylic Aciid Methyl Ester
IUPAC Name: methyl 2-[4-(bromomethyl)phenyl]benzoate | CAS Registry Number: 114772-38-2
Synonyms: Methyl 2-[4-(bromomethyl)phenyl]benzoate, Methyl 4'-bromomethylbiphenyl-2-carboxylate, Methyl 4'-bromomethyl biphenyl-2-carboxylate, Methyl 4'-bromomethyl-2-biphenylcarboxylate, Methyl 4'-bromomethyl-biphenyl-2-carboxylate, Methyl 4'-(Bromomethyl)biphenyl-2-carboxylate, 2-[4-(Bromomethyl)phenyl]benzoic Acid Methyl Ester, Methyl 2-(4'-Bromomethylphenyl)benzoate, 2'-(Methoxycarbonyl)biphenyl-4-ylmethyl Bromide, Methyl 4'-(Bromomethyl)-1,1'-biphenyl-2-carboxylate, 4'-Bromomethylbiphenyl-2-carboxylic Acid, Methyl Ester, 4'-Bromomethyl-(1,1'-biphenyl)-2-carboxylic acid methyl ester, [1,1'-BIPHENYL]-2-CARBOXYLIC ACID, 4'-(BROMOMETHYL)-, METHYL ESTER, 133240-26-3, PubChem8968, SureCN562, ACMC-2099lk, Jsp001090, CTK4B8432, RMXGTMRDXKUUDJ-UHFFFAOYSA-

Molecular Formula: C15H13BrO2Molecular Weight: 305.166520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RMXGTMRDXKUUDJ-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

• 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

• 2-Methyl-3-Acetoxybenzoic Acid
IUPAC Name: 3-acetyloxy-2-methylbenzoic acid | CAS Registry Number: 168899-58-9
Synonyms: 3-Acetoxy-2-methylbenzoic acid, 2-Methyl-3-acetoxybenzoic acid, 3-acetyloxy-2-methylbenzoic acid, SBB063332, AMBA, AC1MXZKZ, ACMC-209dz2, AC1Q1L9V, SureCN6178884, KSC495O2N, 495255_ALDRICH, Jsp003420, CTK3J5726, 3-Acetoxy-2-Methyl-Benzoic Acid, MolPort-001-794-616, AC-594, ANW-22380, 3-(Acetyloxy)-2-methyl-benzoic Acid, AKOS015888713, AB07799

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LHVJUPHCLWIPLZ-UHFFFAOYSA-N

• 5-Cyanophthalide
IUPAC Name: 1-oxo-3H-2-benzofuran-5-carbonitrile | CAS Registry Number: 82104-74-3
Synonyms: 5-Cyano-3H-isobenzofuranone, 647195_ALDRICH, ZINC00337934, EINECS 279-900-2, CID821218, TL8005440, 1,3-Dihydro-1-oxo-5-isobenzofurancarbonitrile, 1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile, 1-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile, AR-011/40257489

Molecular Formula: C9H5NO2Molecular Weight: 159.141500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XEEGWTLAFIZLSF-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

• 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

• (+)-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-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

• 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

• 2-Isopropyl-4-(methylaminomethyl)thiazole
IUPAC Name: N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine | CAS Registry Number: 154212-60-9
Synonyms: 2-isopropyl-4-(methylaminomethyl)thiazole, SureCN902615, Jsp003006, CTK6I5498, N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine, MolPort-003-178-878, ANW-45087, AKOS010300418, AG-A-43413, AM84496, MCULE-2512608170, AK-28815, KB-24753, FT-0643514, ST51051204, X4182, 1-(2-isopropylthiazol-4-yl)-N-methyl methanamine, A809508, I05-0064, N-methyl-1-(2-propan-2-yl-4-thiazolyl)methanamine

Molecular Formula: C8H14N2SMolecular Weight: 170.275160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HWSFABGWAXURNG-UHFFFAOYSA-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

• 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

• 2-(2'-Hydroxy-3',5'-di-tert-butylphenyl)-5-chlorobenzotriazole
IUPAC Name: 2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol | CAS Registry Number: 3864-99-1
Synonyms: CBDivE_008145, 423327_ALDRICH, EINECS 223-383-8, ZINC02169630, CID77470, STK051072, LS-104191, 2,4-Di-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol, Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-, 2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol, 2-(3',5'-Di-tert-butyl-2'-hydroxyphenyl)-5-chloro-2H-benzotriazole, 106085-69-2, 114625-87-5, 153613-74-2, 188025-33-4, 189456-66-4, 60712-40-5

Molecular Formula: C20H24ClN3OMolecular Weight: 357.877060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UWSMKYBKUPAEJQ-UHFFFAOYSA-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


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