Basic information
- Standard SMILES
N#CCc1ccccc1CCc1ccc(Br)cc1- InChIKey
UDRGUXNMTKAUPO-UHFFFAOYSA-N- Molecular formula
- C16H14BrN
- Average molar mass
- 300.19 g/mol
- Monoisotopic mass
- 299.03096
Names & identifiers
- Preferred name
- 2-(4-Bromophenethyl)-phenylacetonitrile
- IUPAC
- 2-[2-[2-(4-bromophenyl)ethyl]phenyl]acetonitrile
Names & synonyms
SCHEMBL11782458UDRGUXNMTKAUPO-UHFFFAOYSA-N2-(4-Bromophenethyl)-phenylacetonitrile
Database identifiers
- PubChem CID
- 54348019
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Related reactions
4 records
Compound notes
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