Chloroheptanone
Basic information
- CAS
63938-08-9- Standard SMILES
CCCCCC(Cl)C=O- InChIKey
BSVFHYAKJFPWMT-UHFFFAOYSA-N- Molecular formula
- C7H13ClO
- Average molar mass
- 148.63 g/mol
- Monoisotopic mass
- 148.0654927
Names & identifiers
- Preferred name
- Chloroheptanone
- IUPAC
- 2-chloroheptanal
- English name
- chloroheptanone
- Molecular formula
- C7H13ClO
- Molecular weight
- 148.63052
Names & synonyms
2-chloroheptanal63938-08-9Chloroheptanonealpha-chloro-heptanalSCHEMBL834634SCHEMBL5279492DTXSID30981217EINECS 264-566-2
Database identifiers
- CAS
63938-08-9- PubChem CID
- 115381
- DTXSID
DTXSID30981217- EC Number
- 264-566-2
- Nikkaji
- J836.123A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 73.3
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Related reactions
2 records
Compound notes
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