3-Chloroazepan-2-one
Basic information
- CAS
1468-55-9- Standard SMILES
O=C1NCCCCC1Cl- InChIKey
NDXGCVGKTPQXFA-UHFFFAOYSA-N- Molecular formula
- C6H10ClNO
- Average molar mass
- 147.6 g/mol
- Monoisotopic mass
- 147.0450916
Names & identifiers
- Preferred name
- 3-Chloroazepan-2-one
- IUPAC
- 3-chloroazepan-2-one
Names & synonyms
3-chloroazepan-2-one1468-55-9DTXSID50325972RefChem:278576DTXCID50277088NSC522407alpha-chlorocaprolactamSCHEMBL198981alpha-chloro-epsilon-caprolactamNDXGCVGKTPQXFA-UHFFFAOYSA-NAKOS006347674AT45922
Show more names
NSC-522407DS-0132942H-AZEPIN-2-ONE,3-CHLOROHEXAHYDRO-
Database identifiers
- CAS
1468-55-9- PubChem CID
- 351602
- DTXSID
DTXSID50325972
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
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Related reactions
2 records
Compound notes
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