(3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene
Basic information
- CAS
319-81-3- Standard SMILES
Cl[C@H]1[C@H](Cl)[C@@H](Cl)C=C[C@H]1Cl- InChIKey
CHTOKGBXCBVHQO-JGWLITMVSA-N- Molecular formula
- C6H6Cl4
- Average molar mass
- 219.9 g/mol
- Monoisotopic mass
- 217.922361
Names & identifiers
- Preferred name
- (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene
- IUPAC
- (3R,4R,5R,6S)-3,4,5,6-tetrachlorocyclohexene
- English name
- (3alpha,4alpha,5beta,6alpha)-3,4,5,6-Tetrachlorocyclohexene
- Molecular formula
- C6H6Cl4
- Molecular weight
- 219.92
Names & synonyms
gamma-BTC319-81-3(3alpha,4alpha,5beta,6alpha)-3,4,5,6-TetrachlorocyclohexeneSCHEMBL29714764Cyclohexene, 3,4,5,6-tetrachloro-, (3alpha,4alpha,5beta,6alpha)-Cyclohexene, 3,4,5,6-tetrachloro-, (3R,4R,5R,6S)-rel-
Database identifiers
- CAS
319-81-3- PubChem CID
- 92104
- Nikkaji
- J1.604.572A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 270.5 · 270.5±35.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
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Compound notes
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