Computational Toxicology Research Program

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Chemical Name: Ethane, 1-chloro-1,1-difluoro-
IUPAC Name: 1-chloro-1,1-difluoroethane
CAS RN: 75-68-3
Description: single chemical compound
STRUCTURE Formula: C2H3ClF2
Molecular Weight: 100.495
SMILES: CC(Cl)(F)F
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Chemical Name: Methane, trichlorofluoro-
IUPAC Name: trichloro(fluoro)methane
CAS RN: 75-69-4
Description: single chemical compound
STRUCTURE Formula: CCl3F
Molecular Weight: 137.3681
SMILES: FC(Cl)(Cl)Cl
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Chemical Name: Methane, dichlorodifluoro-
IUPAC Name: dichloro(difluoro)methane
CAS RN: 75-71-8
Description: single chemical compound
STRUCTURE Formula: CCl2F2
Molecular Weight: 120.9135
SMILES: FC(F)(Cl)Cl
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Chemical Name: Methanesulfonic acid
IUPAC Name: methanesulfonic acid
CAS RN: 75-75-2
Description: single chemical compound
STRUCTURE Formula: CH4O3S
Molecular Weight: 96.1057
SMILES: O=S(O)(C)=O
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Chemical Name: Silane, tetramethyl-
IUPAC Name: tetramethylsilane
CAS RN: 75-76-3
Description: single chemical compound
STRUCTURE Formula: C4H12Si
Molecular Weight: 88.2236
SMILES: C[Si](C)(C)C
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Chemical Name: Silane, chlorotrimethyl-
IUPAC Name: Chlorotrimethylsilane
CAS RN: 75-77-4
Description: single chemical compound
STRUCTURE Formula: C3H9ClSi
Molecular Weight: 108.6421
SMILES: C[Si](C)(C)Cl
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Chemical Name: Silane, dichlorodimethyl-
IUPAC Name: dichloro(dimethyl)silane
CAS RN: 75-78-5
Description: single chemical compound
STRUCTURE Formula: C2H6Cl2Si
Molecular Weight: 129.0605
SMILES: Cl[Si](C)(C)Cl
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Chemical Name: Silane, trichloromethyl-
IUPAC Name: trichloro(methyl)silane
CAS RN: 75-79-6
Description: single chemical compound
STRUCTURE Formula: CH3Cl3Si
Molecular Weight: 149.479
SMILES: Cl[Si](Cl)(C)Cl
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Chemical Name: Propanenitrile, 2-hydroxy-2-methyl-
IUPAC Name: 2-hydroxy-2-methylpropanenitrile
CAS RN: 75-86-5
Description: single chemical compound
STRUCTURE Formula: C4H7NO
Molecular Weight: 85.1045
SMILES: C(C)(C)(O)C#N
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Chemical Name: Acetaldehyde, trichloro-
IUPAC Name: trichloroacetaldehyde
CAS RN: 75-87-6
Description: single chemical compound
STRUCTURE Formula: C2HCl3O
Molecular Weight: 147.3877
SMILES: O=CC(Cl)(Cl)Cl
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Chemical Name: Hydroperoxide, 1,1-dimethylethyl
IUPAC Name: tert-butyl hydroperoxide
CAS RN: 75-91-2
Description: single chemical compound
STRUCTURE Formula: C4H10O2
Molecular Weight: 90.121
SMILES: C(C)(C)(C)OO
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Chemical Name: Silane, trichloroethenyl-
IUPAC Name: trichloro(vinyl)silane
CAS RN: 75-94-5
Description: single chemical compound
STRUCTURE Formula: C2H3Cl3Si
Molecular Weight: 161.4897
SMILES: Cl[Si](Cl)(C=C)Cl
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Chemical Name: 2-Butanone, 3,3-dimethyl-
IUPAC Name: 3,3-dimethylbutan-2-one
CAS RN: 75-97-8
Description: single chemical compound
STRUCTURE Formula: C6H12O
Molecular Weight: 100.1589
SMILES: CC(=O)C(C)(C)C
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