Basic information
- Standard SMILES
N#CC(Cl)Oc1ccccc1- InChIKey
FLFGKOYMYJTXQX-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO
- Average molar mass
- 167.59 g/mol
Names & identifiers
- Preferred name
- Chlorophenoxyacetonitrile
- IUPAC
- 2-chloro-2-phenoxyacetonitrile
Names & synonyms
chlorophenoxyacetonitrileSCHEMBL3961288FLFGKOYMYJTXQX-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 53400486
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Related reactions
2 records
Compound notes
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