Basic information
- Standard SMILES
O=[N+]([O-])CCc1cccc(OCc2ccccc2)c1- InChIKey
NPOJKVAUXHWGQU-UHFFFAOYSA-N- Molecular formula
- C15H15NO3
- Average molar mass
- 257.28 g/mol
Names & identifiers
- Preferred name
- 1-Benzyloxy-3-(2-nitro-ethyl)-benzene
- IUPAC
- 1-(2-nitroethyl)-3-phenylmethoxybenzene
Names & synonyms
SCHEMBL510153NPOJKVAUXHWGQU-UHFFFAOYSA-N1-Benzyloxy-3-(2-nitro-ethyl)-benzene
Database identifiers
- PubChem CID
- 59255205
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 271
Related reactions
6 records
Compound notes
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