Wednesday, July 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2,4-dimethyl-1-nitro-benzene
CAS Name: 2,4-dimethyl-1-nitrobenzene
IUPAC NAME: 2,4-dimethyl-1-nitrobenzene
SYSTEMATIC NAME: 2,4-dimethyl-1-nitro-benzene
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C
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Product OPENEYE NAME: 1-(bromomethyl)-2-methyl-benzene
CAS Name: 1-(bromomethyl)-2-methylbenzene
IUPAC NAME: 1-(bromomethyl)-2-methylbenzene
SYSTEMATIC NAME: 1-(bromomethyl)-2-methyl-benzene
MOLECULAR FORMULA: C8H9Br
MOLECULAR WEIGHT: 185.06106
SMILES: CC1=CC=CC=C1CBr
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Product OPENEYE NAME: o-tolylmethanamine
CAS Name: (2-methylphenyl)methanamine
IUPAC NAME: (2-methylphenyl)methanamine
SYSTEMATIC NAME: (2-methylphenyl)methanamine
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CC1=CC=CC=C1CN
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Product OPENEYE NAME: o-tolylmethanol
CAS Name: (2-methylphenyl)methanol
IUPAC NAME: (2-methylphenyl)methanol
SYSTEMATIC NAME: (2-methylphenyl)methanol
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: CC1=CC=CC=C1CO
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Product OPENEYE NAME: 1-chloro-2-ethyl-benzene
CAS Name: 1-chloro-2-ethylbenzene
IUPAC NAME: 1-chloro-2-ethylbenzene
SYSTEMATIC NAME: 1-chloranyl-2-ethyl-benzene
MOLECULAR FORMULA: C8H9Cl
MOLECULAR WEIGHT: 140.61006
SMILES: CCC1=CC=CC=C1Cl
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Product OPENEYE NAME: 2-chlorobenzaldehyde
CAS Name: 2-chlorobenzaldehyde
IUPAC NAME: 2-chlorobenzaldehyde
SYSTEMATIC NAME: 2-chloranylbenzaldehyde
MOLECULAR FORMULA: C7H5ClO
MOLECULAR WEIGHT: 140.567
SMILES: C1=CC=C(C(=C1)C=O)Cl
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Product OPENEYE NAME: 2-ethylphenol
CAS Name: 2-ethylphenol
IUPAC NAME: 2-ethylphenol
SYSTEMATIC NAME: 2-ethylphenol
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: CCC1=CC=CC=C1O
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Product OPENEYE NAME: 2-hydroxybenzaldehyde
CAS Name: 2-hydroxybenzaldehyde
IUPAC NAME: 2-hydroxybenzaldehyde
SYSTEMATIC NAME: 2-oxidanylbenzaldehyde
MOLECULAR FORMULA: C7H6O2
MOLECULAR WEIGHT: 122.12134
SMILES: C1=CC=C(C(=C1)C=O)O
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Product OPENEYE NAME: chloro-(2-hydroxyphenyl)mercury
CAS Name: chloro-(2-hydroxyphenyl)mercury
IUPAC NAME: chloro-(2-hydroxyphenyl)mercury
SYSTEMATIC NAME: chloranyl-(2-hydroxyphenyl)mercury
MOLECULAR FORMULA: C6H5ClHgO
MOLECULAR WEIGHT: 329.1463
SMILES: C1=CC=C(C(=C1)O)[Hg]Cl
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Product OPENEYE NAME: 2-methoxyaniline
CAS Name: 2-methoxyaniline
IUPAC NAME: 2-methoxyaniline
SYSTEMATIC NAME: 2-methoxyaniline
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: COC1=CC=CC=C1N
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Product OPENEYE NAME: 1-bromonaphthalene
CAS Name: 1-bromonaphthalene
IUPAC NAME: 1-bromonaphthalene
SYSTEMATIC NAME: 1-bromanylnaphthalene
MOLECULAR FORMULA: C10H7Br
MOLECULAR WEIGHT: 207.06658
SMILES: C1=CC=C2C(=C1)C=CC=C2Br
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Product OPENEYE NAME: 1-methylnaphthalene
CAS Name: 1-methylnaphthalene
IUPAC NAME: 1-methylnaphthalene
SYSTEMATIC NAME: 1-methylnaphthalene
MOLECULAR FORMULA: C11H10
MOLECULAR WEIGHT: 142.1971
SMILES: CC1=CC=CC2=CC=CC=C12
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Product OPENEYE NAME: 1-chloronaphthalene
CAS Name: 1-chloronaphthalene
IUPAC NAME: 1-chloronaphthalene
SYSTEMATIC NAME: 1-chloranylnaphthalene
MOLECULAR FORMULA: C10H7Cl
MOLECULAR WEIGHT: 162.61558
SMILES: C1=CC=C2C(=C1)C=CC=C2Cl
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Product OPENEYE NAME: 1-iodonaphthalene
CAS Name: 1-iodonaphthalene
IUPAC NAME: 1-iodonaphthalene
SYSTEMATIC NAME: 1-iodanylnaphthalene
MOLECULAR FORMULA: C10H7I
MOLECULAR WEIGHT: 254.06705
SMILES: C1=CC=C2C(=C1)C=CC=C2I
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Product OPENEYE NAME: naphthalen-1-ol
CAS Name: 1-naphthalenol
IUPAC NAME: naphthalen-1-ol
SYSTEMATIC NAME: naphthalen-1-ol
MOLECULAR FORMULA: C10H8O
MOLECULAR WEIGHT: 144.16992
SMILES: C1=CC=C2C(=C1)C=CC=C2O
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Product OPENEYE NAME: 1H-1,2,3-benzotriazin-4-one
CAS Name: 1H-1,2,3-benzotriazin-4-one
IUPAC NAME: 1H-1,2,3-benzotriazin-4-one
SYSTEMATIC NAME: 1H-1,2,3-benzotriazin-4-one
MOLECULAR FORMULA: C7H5N3O
MOLECULAR WEIGHT: 147.1341
SMILES: C1=CC=C2C(=C1)C(=O)N=NN2
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Product OPENEYE NAME: (2,2,2-trichloro-1-phenyl-ethyl) acetate
CAS Name: acetic acid (2,2,2-trichloro-1-phenylethyl) ester
IUPAC NAME: (2,2,2-trichloro-1-phenylethyl) acetate
SYSTEMATIC NAME: [2,2,2-tris(chloranyl)-1-phenyl-ethyl] ethanoate
MOLECULAR FORMULA: C10H9Cl3O2
MOLECULAR WEIGHT: 267.53626
SMILES: CC(=O)OC(C1=CC=CC=C1)C(Cl)(Cl)Cl
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