Monday, August 8, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 4-methylhexan-3-ol
CAS Name: 4-methyl-3-hexanol
IUPAC NAME: 4-methylhexan-3-ol
SYSTEMATIC NAME: 4-methylhexan-3-ol
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CCC(C)C(CC)O
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Product OPENEYE NAME: 2-bromoaniline
CAS Name: 2-bromoaniline
IUPAC NAME: 2-bromoaniline
SYSTEMATIC NAME: 2-bromanylaniline
MOLECULAR FORMULA: C6H6BrN
MOLECULAR WEIGHT: 172.02254
SMILES: C1=CC=C(C(=C1)N)Br
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Product OPENEYE NAME: 1-chloro-2-iodo-benzene
CAS Name: 1-chloro-2-iodobenzene
IUPAC NAME: 1-chloro-2-iodobenzene
SYSTEMATIC NAME: 1-chloranyl-2-iodanyl-benzene
MOLECULAR FORMULA: C6H4ClI
MOLECULAR WEIGHT: 238.45343
SMILES: C1=CC=C(C(=C1)Cl)I
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Product OPENEYE NAME: 1,2-diiodobenzene
CAS Name: 1,2-diiodobenzene
IUPAC NAME: 1,2-diiodobenzene
SYSTEMATIC NAME: 1,2-bis(iodanyl)benzene
MOLECULAR FORMULA: C6H4I2
MOLECULAR WEIGHT: 329.9049
SMILES: C1=CC=C(C(=C1)I)I
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Product OPENEYE NAME: 2-iodoaniline
CAS Name: 2-iodoaniline
IUPAC NAME: 2-iodoaniline
SYSTEMATIC NAME: 2-iodanylaniline
MOLECULAR FORMULA: C6H6IN
MOLECULAR WEIGHT: 219.02301
SMILES: C1=CC=C(C(=C1)N)I
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Product OPENEYE NAME: 2-methylbenzene-1,4-diamine dihydrochloride
CAS Name: 2-methylbenzene-1,4-diamine dihydrochloride
IUPAC NAME: 2-methylbenzene-1,4-diamine dihydrochloride
SYSTEMATIC NAME: 2-methylbenzene-1,4-diamine dihydrochloride
MOLECULAR FORMULA: C7H12Cl2N2
MOLECULAR WEIGHT: 195.08958
SMILES: CC1=C(C=CC(=C1)N)N.Cl.Cl
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Product OPENEYE NAME: 2-chlorobenzene-1,4-diamine dihydrochloride
CAS Name: 2-chlorobenzene-1,4-diamine dihydrochloride
IUPAC NAME: 2-chlorobenzene-1,4-diamine dihydrochloride
SYSTEMATIC NAME: 2-chloranylbenzene-1,4-diamine dihydrochloride
MOLECULAR FORMULA: C6H9Cl3N2
MOLECULAR WEIGHT: 215.50806
SMILES: C1=CC(=C(C=C1N)Cl)N.Cl.Cl
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Product OPENEYE NAME: 2-chlorobenzene-1,4-diamine
CAS Name: 2-chlorobenzene-1,4-diamine
IUPAC NAME: 2-chlorobenzene-1,4-diamine
SYSTEMATIC NAME: 2-chloranylbenzene-1,4-diamine
MOLECULAR FORMULA: C6H7ClN2
MOLECULAR WEIGHT: 142.58618
SMILES: C1=CC(=C(C=C1N)Cl)N
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Product OPENEYE NAME: (5-chloro-2-sulfanyl-phenyl)ammonium chloride
CAS Name: (5-chloro-2-mercaptophenyl)ammonium chloride
IUPAC NAME: (5-chloro-2-sulfanylphenyl)azanium chloride
SYSTEMATIC NAME: (5-chloranyl-2-sulfanyl-phenyl)azanium chloride
MOLECULAR FORMULA: C6H7Cl2NS
MOLECULAR WEIGHT: 196.09748
SMILES: C1=CC(=C(C=C1Cl)[NH3+])S.[Cl-]
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Product OPENEYE NAME: 2-amino-4-chloro-benzenethiol
CAS Name: 2-amino-4-chlorobenzenethiol
IUPAC NAME: 2-amino-4-chlorobenzenethiol
SYSTEMATIC NAME: 2-azanyl-4-chloranyl-benzenethiol
MOLECULAR FORMULA: C6H6ClNS
MOLECULAR WEIGHT: 159.63654
SMILES: C1=CC(=C(C=C1Cl)N)S
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Product OPENEYE NAME: ethyl N-methyl-N-nitroso-carbamate
CAS Name: N-methyl-N-nitrosocarbamic acid ethyl ester
IUPAC NAME: ethyl N-methyl-N-nitrosocarbamate
SYSTEMATIC NAME: ethyl N-methyl-N-nitroso-carbamate
MOLECULAR FORMULA: C4H8N2O3
MOLECULAR WEIGHT: 132.11792
SMILES: CCOC(=O)N(C)N=O
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Product OPENEYE NAME: 1,2,4-tribromobenzene
CAS Name: 1,2,4-tribromobenzene
IUPAC NAME: 1,2,4-tribromobenzene
SYSTEMATIC NAME: 1,2,4-tris(bromanyl)benzene
MOLECULAR FORMULA: C6H3Br3
MOLECULAR WEIGHT: 314.80002
SMILES: C1=CC(=C(C=C1Br)Br)Br
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Product OPENEYE NAME: 3,4-dibromophenol
CAS Name: 3,4-dibromophenol
IUPAC NAME: 3,4-dibromophenol
SYSTEMATIC NAME: 3,4-bis(bromanyl)phenol
MOLECULAR FORMULA: C6H4Br2O
MOLECULAR WEIGHT: 251.90336
SMILES: C1=CC(=C(C=C1O)Br)Br
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