Basic information
- Standard SMILES
N#CCc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1- InChIKey
BRJSATPGYDXHCT-UHFFFAOYSA-N- Molecular formula
- C15H12N2O3
- Average molar mass
- 268.27 g/mol
Names & identifiers
- Preferred name
- (3-Benzyloxy-4-nitrophenyl)acetonitrile
- IUPAC
- 2-(4-nitro-3-phenylmethoxyphenyl)acetonitrile
Names & synonyms
SCHEMBL7220858BRJSATPGYDXHCT-UHFFFAOYSA-N(3-benzyloxy-4-nitrophenyl)acetonitrile
Database identifiers
- PubChem CID
- 13629306
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Related reactions
5 records
Compound notes
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