Basic information
- Standard SMILES
N#CC=Cc1ccc(Br)cc1- InChIKey
LSLREZDNFXMUJH-UHFFFAOYSA-N- Molecular formula
- C9H6BrN
- Average molar mass
- 208.05 g/mol
Names & identifiers
- Preferred name
- 4-Bromocinnamonitrile
- IUPAC
- 3-(4-bromophenyl)prop-2-enenitrile
Names & synonyms
4-bromocinnamonitrileTimTec1_001524SCHEMBL596632LSLREZDNFXMUJH-UHFFFAOYSA-N3-(4-Bromophenyl)-2-propenenitrileAKOS017436957
Database identifiers
- PubChem CID
- 53480
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 181
Related reactions
7 records
Compound notes
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