Basic information
- Standard SMILES
CC(Br)c1ccc(-c2ccccc2C#N)cc1- InChIKey
OJPCBOPXRPVZNS-UHFFFAOYSA-N- Molecular formula
- C15H12BrN
- Average molar mass
- 286.17 g/mol
Names & identifiers
- Preferred name
- 4'-(1-Bromoethyl)biphenyl-2-carbonitrile
- IUPAC
- 2-[4-(1-bromoethyl)phenyl]benzonitrile
Names & synonyms
SCHEMBL1369986OJPCBOPXRPVZNS-UHFFFAOYSA-N4'-(1-bromoethyl)biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 67008558
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
12 records
Compound notes
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