Basic information
- Standard SMILES
C[C@@H](Cl)c1cccc(C#N)c1- InChIKey
RIKQYFNEBDGPNT-SSDOTTSWSA-N- Molecular formula
- C9H8ClN
- Average molar mass
- 165.62 g/mol
Names & identifiers
- Preferred name
- 3-[(1R)-1-chloroethyl]benzonitrile
- IUPAC
- 3-[(1R)-1-chloroethyl]benzonitrile
Names & synonyms
SCHEMBL214439RIKQYFNEBDGPNT-SSDOTTSWSA-N3-[(1R)-1-chloroethyl]benzonitrile
Database identifiers
- PubChem CID
- 66623152
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
Related reactions
3 records
Compound notes
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