Basic information
- Standard SMILES
N#CCc1ccccc1CCl- InChIKey
JPOYHVLCLXDODG-UHFFFAOYSA-N- Molecular formula
- C9H8ClN
- Average molar mass
- 165.62 g/mol
Names & identifiers
- Preferred name
- 2-(Cyanomethyl)benzyl chloride
- IUPAC
- 2-[2-(chloromethyl)phenyl]acetonitrile
Names & synonyms
2-(Cyanomethyl)benzyl chloride98590-71-72-[2-(chloromethyl)phenyl]acetonitrile2-(2-(chloromethyl)phenyl)acetonitrileMFCD09923853Benzeneacetonitrile, 2-(chloromethyl)-C9H8ClN2-chlormethylphenylacetonitrileSCHEMBL860437JPOYHVLCLXDODG-UHFFFAOYSA-Nalpha-chloro-alpha'-cyano-o-xyleneAKOS006310299
Show more names
AS-40328SY242757DB-202338CS-0060569
Database identifiers
- PubChem CID
- 11298159
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Related reactions
4 records
Compound notes
Loading…