Saturday, February 25, 2012

Computational Toxicology Research Program




Chemical Name: Methane, bromo-
IUPAC Name: bromomethane
CAS RN: 74-83-9
Description: single chemical compound
STRUCTURE Formula: CH3Br
Molecular Weight: 94.9385
SMILES: CBr
Note:


Chemical Name: Ethane
IUPAC Name: ethane
CAS RN: 74-84-0
Description: single chemical compound
STRUCTURE Formula: C2H6
Molecular Weight: 30.069
SMILES: CC
Note:


Chemical Name: Ethene
IUPAC Name: ethylene
CAS RN: 74-85-1
Description: single chemical compound
STRUCTURE Formula: C2H4
Molecular Weight: 28.0532
SMILES: C=C
Note:


Chemical Name: Ethyne
IUPAC Name: acetylene
CAS RN: 74-86-2
Description: single chemical compound
STRUCTURE Formula: C2H2
Molecular Weight: 26.0373
SMILES: C#C
Note:


Chemical Name: Methane, chloro-
IUPAC Name: chloromethane
CAS RN: 74-87-3
Description: single chemical compound
STRUCTURE Formula: CH3Cl
Molecular Weight: 50.4875
SMILES: ClC
Note:


Chemical Name: Methanamine
IUPAC Name: methanamine
CAS RN: 74-89-5
Description: single chemical compound
STRUCTURE Formula: CH5N
Molecular Weight: 31.0571
SMILES: NC
Note:


Chemical Name: Methanethiol
IUPAC Name: methanethiol
CAS RN: 74-93-1
Description: single chemical compound
STRUCTURE Formula: CH4S
Molecular Weight: 48.1075
SMILES: SC
Note:


Chemical Name: Methane, dibromo-
IUPAC Name: dibromomethane
CAS RN: 74-95-3
Description: single chemical compound
STRUCTURE Formula: CH2Br2
Molecular Weight: 173.8346
SMILES: BrCBr
Note:


Chemical Name: Ethane, bromo-
IUPAC Name: bromoethane
CAS RN: 74-96-4
Description: single chemical compound
STRUCTURE Formula: C2H5Br
Molecular Weight: 108.9651
SMILES: CCBr
Note:


Chemical Name: Methane, bromochloro-
IUPAC Name: bromo(chloro)methane
CAS RN: 74-97-5
Description: single chemical compound
STRUCTURE Formula: CH2BrCl
Molecular Weight: 129.3836
SMILES: ClCBr
Note:


Chemical Name: Propane
IUPAC Name: propane
CAS RN: 74-98-6
Description: single chemical compound
STRUCTURE Formula: C3H8
Molecular Weight: 44.0956
SMILES: CCC
Note:


Chemical Name: 1-Propyne
IUPAC Name: prop-1-yne
CAS RN: 74-99-7
Description: single chemical compound
STRUCTURE Formula: C3H4
Molecular Weight: 40.0639
SMILES: CC#C
Note:


Chemical Name: Ethane, chloro-
IUPAC Name: chloroethane
CAS RN: 75-00-3
Description: single chemical compound
STRUCTURE Formula: C2H5Cl
Molecular Weight: 64.5141
SMILES: CCCl
Note:


Chemical Name: Ethene, chloro-
IUPAC Name: chloroethene
CAS RN: 75-01-4
Description: single chemical compound
STRUCTURE Formula: C2H3Cl
Molecular Weight: 62.4982
SMILES: C=CCl
Note:


Chemical Name: Ethene, fluoro-
IUPAC Name: fluoroethene
CAS RN: 75-02-5
Description: single chemical compound
STRUCTURE Formula: C2H3F
Molecular Weight: 46.0436
SMILES: C=CF
Note:


Chemical Name: Ethanamine
IUPAC Name: ethanamine
CAS RN: 75-04-7
Description: single chemical compound
STRUCTURE Formula: C2H7N
Molecular Weight: 45.0837
SMILES: NCC
Note:


Chemical Name: Acetonitrile
IUPAC Name: acetonitrile
CAS RN: 75-05-8
Description: single chemical compound
STRUCTURE Formula: C2H3N
Molecular Weight: 41.0519
SMILES: CC#N
Note:


Chemical Name: Acetaldehyde
IUPAC Name: acetaldehyde
CAS RN: 75-07-0
Description: single chemical compound
STRUCTURE Formula: C2H4O
Molecular Weight: 44.0526
SMILES: CC=O
Note:


Chemical Name: Ethanethiol
IUPAC Name: ethanethiol
CAS RN: 75-08-1
Description: single chemical compound
STRUCTURE Formula: C2H6S
Molecular Weight: 62.134
SMILES: SCC
Note:


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