Basic information
- Standard SMILES
N#CC=Cc1ccc(CBr)cc1- InChIKey
MMSGPNSHDIKINF-UHFFFAOYSA-N- Molecular formula
- C10H8BrN
- Average molar mass
- 222.08 g/mol
Names & identifiers
- Preferred name
- 4-Bromomethylcinnamonitrile
- IUPAC
- 3-[4-(bromomethyl)phenyl]prop-2-enenitrile
Names & synonyms
4-bromomethylcinnamonitrileSCHEMBL9479084MMSGPNSHDIKINF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 54080447
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Related reactions
2 records
Compound notes
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