Basic information
- Standard SMILES
N#Cc1ccc(OCc2ccccc2)c(Br)c1- InChIKey
QQOOGFABDFSRFK-UHFFFAOYSA-N- Molecular formula
- C14H10BrNO
- Average molar mass
- 288.14 g/mol
- Monoisotopic mass
- 286.99458
Names & identifiers
- Preferred name
- 3-Bromo-4-(phenylmethoxy)-benzonitrile
- IUPAC
- 3-bromo-4-phenylmethoxybenzonitrile
Names & synonyms
3-Bromo-4-(phenylmethoxy)-benzonitrile317358-76-24-(BENZYLOXY)-3-BROMOBENZONITRILE3-bromo-4-phenylmethoxybenzonitrile4-benzyloxy-3-bromobenzonitrile3-Bromo-4-[(phenylmethyl)oxy]benzonitrileSCHEMBL19801414-benzyloxy-3-bromo-benzonitrileQQOOGFABDFSRFK-UHFFFAOYSA-NMFCD09709331AKOS017269629BS-32262
Show more names
Benzonitrile, 3-bromo-4-(phenylmethoxy)-A1-00807
Database identifiers
- PubChem CID
- 3960018
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
7 records
Compound notes
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