Benzonitrile, o-(chloroacetyl)-
Basic information
- CAS
1008-15-7- Standard SMILES
N#Cc1ccccc1C(=O)CCl- InChIKey
QLWBWNBFUCQEJM-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO
- Average molar mass
- 179.6 g/mol
- Monoisotopic mass
- 179.0137915
Names & identifiers
- Preferred name
- Benzonitrile, o-(chloroacetyl)-
- IUPAC
- 2-(2-chloroacetyl)benzonitrile
- English name
- Benzonitrile, 2-(chloroacetyl)- (9CI)
- Molecular formula
- C9H6ClNO
- Molecular weight
- 179.6
Names & synonyms
1008-15-7USAF uctl-668alpha-Chloro-o-cyanoacetophenoneBENZONITRILE, o-(CHLOROACETYL)-BRN 2088199DTXSID10143513RefChem:328099DTXCID80660042-(2-chloroacetyl)benzonitrileBenzonitrile, 2-(Chloroacetyl)- (9Ci)Benzonitrile, 2-(2-chloroacetyl)-2-(chloroacetyl)benzonitrile
Show more names
o-(Chloroacetyl)benzonitrile2-(2-chloroethanoyl)benzenecarbonitrile
BENZONITRILE, 2-(CHLOROACETYL)-DB-274624
Database identifiers
- CAS
1008-15-7- PubChem CID
- 13882
- DTXSID
DTXSID10143513- Nikkaji
- J42.014J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 332.1 · 332.1±22.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
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Compound notes
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