1-[(1R,2R,3S)-2,3-dichlorocyclobutyl]ethanone
Basic information
- CAS
96688-35-6- Standard SMILES
CC(=O)[C@H]1C[C@H](Cl)[C@@H]1Cl- InChIKey
ZOEKLVCPCXYQSX-NGJCXOISSA-N- Molecular formula
- C6H8Cl2O
- Average molar mass
- 167.03 g/mol
- Monoisotopic mass
- 165.9952203
Names & identifiers
- Preferred name
- 1-[(1R,2R,3S)-2,3-dichlorocyclobutyl]ethanone
- IUPAC
- 1-[(1R,2R,3S)-2,3-dichlorocyclobutyl]ethanone
- English name
- Ethanone, 1-(2,3-dichlorocyclobutyl)-, (1alpha,2beta,3beta)- (9CI)
- Molecular formula
- C6H8Cl2O
- Molecular weight
- 167.03
Names & synonyms
1-[(1S,2S,3R)-2,3-dichlorocyclobutyl]ethanoneEthanone, 1-(2,3-dichlorocyclobutyl)-, (1α,2β,3β)- (9CI)Ethanone, 1-(2,3-dichlorocyclobutyl)-, (1alpha,2beta,3beta)- (9CI)
Database identifiers
- CAS
96688-35-6- PubChem CID
- 45086426
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
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Compound notes
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