Basic information
- Standard SMILES
N#CCCc1ccc(CCl)cc1- InChIKey
FARRIJFGASPFTH-UHFFFAOYSA-N- Molecular formula
- C10H10ClN
- Average molar mass
- 179.64 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chloromethyl-phenyl)-propionitrile
- IUPAC
- 3-[4-(chloromethyl)phenyl]propanenitrile
Names & synonyms
SCHEMBL3375476FARRIJFGASPFTH-UHFFFAOYSA-N3-(4-chloromethyl-phenyl)-propionitrile
Database identifiers
- PubChem CID
- 21985089
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Related reactions
3 records
Compound notes
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