Basic information
- Standard SMILES
N#CCc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1- InChIKey
NZYBPPHFWOWHIX-UHFFFAOYSA-N- Molecular formula
- C15H12N2O3
- Average molar mass
- 268.27 g/mol
Names & identifiers
- Preferred name
- (4-Benzyloxy-3-nitrophenyl)acetonitrile
- IUPAC
- 2-(3-nitro-4-phenylmethoxyphenyl)acetonitrile
Names & synonyms
SCHEMBL10410594NZYBPPHFWOWHIX-UHFFFAOYSA-N(4-benzyloxy-3-nitrophenyl)acetonitrile
Database identifiers
- PubChem CID
- 13629303
Properties
Computed structural properties
- XLogP
- 2.8
- 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
4 records
Compound notes
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