4-(Benzyloxy)-3-bromo-5-methoxybenzonitrile
Basic information
- CAS
52805-35-3- Standard SMILES
COc1cc(C#N)cc(Br)c1OCc1ccccc1- InChIKey
ZFOMEPKTOQTNJO-UHFFFAOYSA-N- Molecular formula
- C15H12BrNO2
- Average molar mass
- 318.16 g/mol
- Monoisotopic mass
- 317.00514
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-3-bromo-5-methoxybenzonitrile
- IUPAC
- 3-bromo-5-methoxy-4-phenylmethoxybenzonitrile
Names & synonyms
4-(benzyloxy)-3-bromo-5-methoxybenzonitrile52805-35-33-Bromo-5-methoxy-4-(phenylmethoxy)benzonitrileDTXSID001242205STK400335AKOS000305196NCGC00340292-01ST45142033AB01332791-02Benzonitrile, 3-bromo-5-methoxy-4-(phenylmethoxy)-3-bromo-5-methoxy-4-(phenylmethoxy)benzenecarbonitrile
Database identifiers
- CAS
52805-35-3- PubChem CID
- 793772
- DTXSID
DTXSID001242205
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…