Azepan-1-yl(2-chlorophenyl)methanone
Basic information
- CAS
18494-63-8- Standard SMILES
O=C(c1ccccc1Cl)N1CCCCCC1- InChIKey
SONJOLVUQSJDFQ-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO
- Average molar mass
- 237.72 g/mol
- Monoisotopic mass
- 237.0920418
Names & identifiers
- Preferred name
- Azepan-1-yl(2-chlorophenyl)methanone
- IUPAC
- azepan-1-yl-(2-chlorophenyl)methanone
- English name
- azepan-1-yl-(2-chlorophenyl)methanone
- Molecular formula
- C13H16ClNO
- Molecular weight
- 0
Names & synonyms
18494-63-8Methanone,(2-chlorophenyl)(hexahydro-1H-azepin-1-yl)-azepan-1-yl(2-chlorophenyl)methanoneazepan-1-yl-(2-chlorophenyl)methanoneNSC58038Cambridge id 5280599CBDivE_012938SCHEMBL3456393SCHEMBL5477247DTXSID20288909NSC-58038AKOS000612044
Show more names
azaperhydroepinyl 2-chlorophenyl ketone(Azepan-1-yl)(2-chlorophenyl)methanoneST014407DS-011355AB00078961-01
Database identifiers
- CAS
18494-63-8- PubChem CID
- 245802
- DTXSID
DTXSID20288909
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
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Related reactions
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Compound notes
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