Basic information
- Standard SMILES
N#CC=Cc1cccc(Br)c1- InChIKey
DTGJLERNSYLLAU-UHFFFAOYSA-N- Molecular formula
- C9H6BrN
- Average molar mass
- 208.05 g/mol
Names & identifiers
- Preferred name
- 3-Bromocinnamonitrile
- IUPAC
- 3-(3-bromophenyl)prop-2-enenitrile
Names & synonyms
3-bromocinnamonitrileSCHEMBL11174940DTGJLERNSYLLAU-UHFFFAOYSA-NAKOS017436959
Database identifiers
- PubChem CID
- 367319
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
- 189
Related reactions
2 records
Compound notes
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