Basic information
- CAS
2832-55-5- Standard SMILES
CCCC(Cl)C(C)=O- InChIKey
BMAOXIKHKBCNHU-UHFFFAOYSA-N- Molecular formula
- C6H11ClO
- Average molar mass
- 134.6 g/mol
- Monoisotopic mass
- 134.0498427
Names & identifiers
- Preferred name
- 3-Chlorohexan-2-one
- IUPAC
- 3-chlorohexan-2-one
Names & synonyms
3-Chlorohexan-2-one2832-55-5DTXSID20546137RefChem:1067629DTXCID204969212-Hexanone, 3-chloroSCHEMBL11058800BMAOXIKHKBCNHU-UHFFFAOYSA-N
Database identifiers
- CAS
2832-55-5- PubChem CID
- 13664342
- DTXSID
DTXSID20546137- Nikkaji
- J329.033F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…