Basic information
- Standard SMILES
CC(=O)c1ccc(Nc2ccc(CCO)cc2)c([N+](=O)[O-])c1- InChIKey
LWHBTJIIPWIAOG-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4
- Average molar mass
- 300.31 g/mol
Names & identifiers
- Preferred name
- 1-{4-[4-(2-Hydroxyethyl)anilino]-3-nitrophenyl}ethanone
- IUPAC
- 1-[4-[4-(2-hydroxyethyl)anilino]-3-nitrophenyl]ethanone
Names & synonyms
SCHEMBL1623802LWHBTJIIPWIAOG-UHFFFAOYSA-N1-{4-[4-(2-Hydroxyethyl)anilino]-3-nitrophenyl}ethanone
Database identifiers
- PubChem CID
- 21875985
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Related reactions
5 records
Compound notes
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