CAS RN: 844856-61-7
CAS Name: (1R,2S)-2-[[4-(methylthio)phenyl]-oxomethyl]-1-cyclohexanecarboxylic acid
OPENEYE Name: (1R,2S)-2-(4-methylsulfanylbenzoyl)cyclohexanecarboxylic acid
IUPAC Name: (1R,2S)-2-(4-methylsulfanylbenzoyl)cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (1R,2S)-2-(4-methylsulfanylphenyl)carbonylcyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C15H18O3S
MOLECULAR WEIGHT: 278.36662
SMILES: CSC1=CC=C(C=C1)C(=O)[C@H]2CCCC[C@H]2C(=O)O
Structure:
CAS RN: 57078-11-2
CAS Name: (1R,2S)-2-[(4-methoxyphenyl)-oxomethyl]-1-cyclohexanecarboxylic acid
OPENEYE Name: (1R,2S)-2-(4-methoxybenzoyl)cyclohexanecarboxylic acid
IUPAC Name: (1R,2S)-2-(4-methoxybenzoyl)cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (1R,2S)-2-(4-methoxyphenyl)carbonylcyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C15H18O4
MOLECULAR WEIGHT: 262.30102
SMILES: COC1=CC=C(C=C1)C(=O)[C@H]2CCCC[C@H]2C(=O)O
Structure:
CAS RN: 443921-86-6
CAS Name: 2-amino-3-iodophenol
OPENEYE Name: 2-amino-3-iodo-phenol
IUPAC Name: 2-amino-3-iodophenol
SYSTEMATIC NAME: 2-azanyl-3-iodanyl-phenol
MOLECULAR FORMULA: C6H6INO
MOLECULAR WEIGHT: 235.02241
SMILES: C1=CC(=C(C(=C1)I)N)O
Structure:
CAS RN: 875664-52-1
CAS Name: 3,4-difluoro-2-methoxybenzoic acid
OPENEYE Name: 3,4-difluoro-2-methoxy-benzoic acid
IUPAC Name: 3,4-difluoro-2-methoxybenzoic acid
SYSTEMATIC NAME: 3,4-bis(fluoranyl)-2-methoxy-benzoic acid
MOLECULAR FORMULA: C8H6F2O3
MOLECULAR WEIGHT: 188.128246
SMILES: COC1=C(C=CC(=C1F)F)C(=O)O
Structure:
CAS RN: 289039-30-1
CAS Name: 3-chloro-5-iodobenzonitrile
OPENEYE Name: 3-chloro-5-iodo-benzonitrile
IUPAC Name: 3-chloro-5-iodobenzonitrile
SYSTEMATIC NAME: 3-chloranyl-5-iodanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3ClIN
MOLECULAR WEIGHT: 263.46289
SMILES: C1=C(C=C(C=C1Cl)I)C#N
Structure:
CAS RN: 100367-37-1
CAS Name: 3-amino-4-bromophenol
OPENEYE Name: 3-amino-4-bromo-phenol
IUPAC Name: 3-amino-4-bromophenol
SYSTEMATIC NAME: 3-azanyl-4-bromanyl-phenol
MOLECULAR FORMULA: C6H6BrNO
MOLECULAR WEIGHT: 188.02194
SMILES: C1=CC(=C(C=C1O)N)Br
Structure:
CAS RN: 887266-99-1
CAS Name: 3-fluoro-4-iodobenzonitrile
OPENEYE Name: 3-fluoro-4-iodo-benzonitrile
IUPAC Name: 3-fluoro-4-iodobenzonitrile
SYSTEMATIC NAME: 3-fluoranyl-4-iodanyl-benzenecarbonitrile
MOLECULAR FORMULA: C7H3FIN
MOLECULAR WEIGHT: 247.008293
SMILES: C1=CC(=C(C=C1C#N)F)I
Structure:
CAS RN: 5995-86-8
CAS Name: 3,4,5-trihydroxybenzoic acid hydrate
OPENEYE Name: 3,4,5-trihydroxybenzoic acid hydrate
IUPAC Name: 3,4,5-trihydroxybenzoic acid hydrate
SYSTEMATIC NAME: 3,4,5-tris(oxidanyl)benzoic acid hydrate
MOLECULAR FORMULA: C7H8O6
MOLECULAR WEIGHT: 188.13482
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O.O
Structure:
CAS RN: 29241-66-5
CAS Name: 5-bromo-2-fluoro-3-pyridinecarboxylic acid
OPENEYE Name: 5-bromo-2-fluoro-pyridine-3-carboxylic acid
IUPAC Name: 5-bromo-2-fluoropyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-bromanyl-2-fluoranyl-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H3BrFNO2
MOLECULAR WEIGHT: 219.995923
SMILES: C1=C(C(=NC=C1Br)F)C(=O)O
Structure:
CAS RN: 874375-17-4
CAS Name: 4-bromo-7-methyl-1H-indole-2,3-dione
OPENEYE Name: 4-bromo-7-methyl-indoline-2,3-dione
IUPAC Name: 4-bromo-7-methyl-1H-indole-2,3-dione
SYSTEMATIC NAME: 4-bromanyl-7-methyl-1H-indole-2,3-dione
MOLECULAR FORMULA: C9H6BrNO2
MOLECULAR WEIGHT: 240.05344
SMILES: CC1=C2C(=C(C=C1)Br)C(=O)C(=O)N2
Structure:
CAS RN: 193090-60-7
CAS Name: 2-bromo-4-fluoro-5-(trifluoromethyl)aniline
OPENEYE Name: 2-bromo-4-fluoro-5-(trifluoromethyl)aniline
IUPAC Name: 2-bromo-4-fluoro-5-(trifluoromethyl)aniline
SYSTEMATIC NAME: 2-bromanyl-4-fluoranyl-5-(trifluoromethyl)aniline
MOLECULAR FORMULA: C7H4BrF4N
MOLECULAR WEIGHT: 258.010973
SMILES: C1=C(C(=CC(=C1N)Br)F)C(F)(F)F
Structure:
CAS RN: 40594-37-4
CAS Name: (3,4-difluorophenyl)hydrazine hydrochloride
OPENEYE Name: (3,4-difluorophenyl)hydrazine hydrochloride
IUPAC Name: (3,4-difluorophenyl)hydrazine hydrochloride
SYSTEMATIC NAME: [3,4-bis(fluoranyl)phenyl]diazane hydrochloride
MOLECULAR FORMULA: C6H7ClF2N2
MOLECULAR WEIGHT: 180.582986
SMILES: C1=CC(=C(C=C1NN)F)F.Cl
Structure:
CAS RN: 35621-01-3
CAS Name: 4-piperidinamine dihydrochloride
OPENEYE Name: piperidin-4-amine dihydrochloride
IUPAC Name: piperidin-4-amine dihydrochloride
SYSTEMATIC NAME: piperidin-4-amine dihydrochloride
MOLECULAR FORMULA: C5H14Cl2N2
MOLECULAR WEIGHT: 173.08406
SMILES: C1CNCCC1N.Cl.Cl
Structure:
CAS RN: 108544-97-4
CAS Name: 2,3-dichloro-4-hydroxy-5-methoxybenzoic acid
OPENEYE Name: 2,3-dichloro-4-hydroxy-5-methoxy-benzoic acid
IUPAC Name: 2,3-dichloro-4-hydroxy-5-methoxybenzoic acid
SYSTEMATIC NAME: 2,3-bis(chloranyl)-5-methoxy-4-oxidanyl-benzoic acid
MOLECULAR FORMULA: C8H6Cl2O4
MOLECULAR WEIGHT: 237.03684
SMILES: COC1=C(C(=C(C(=C1)C(=O)O)Cl)Cl)O
Structure:
CAS RN: 875664-44-1
CAS Name: 3-bromo-5-fluoro-4-methoxyaniline
OPENEYE Name: 3-bromo-5-fluoro-4-methoxy-aniline
IUPAC Name: 3-bromo-5-fluoro-4-methoxyaniline
SYSTEMATIC NAME: 3-bromanyl-5-fluoranyl-4-methoxy-aniline
MOLECULAR FORMULA: C7H7BrFNO
MOLECULAR WEIGHT: 220.038983
SMILES: COC1=C(C=C(C=C1Br)N)F
Structure:
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