Basic information
- Standard SMILES
COC(=O)c1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1- InChIKey
FIIGQYDJLBHRGO-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2O4
- Average molar mass
- 320.73 g/mol
Names & identifiers
- Preferred name
- Methyl 4-{[(4-chloro-2-nitrophenyl)amino]methyl}benzoate
- IUPAC
- methyl 4-[(4-chloro-2-nitroanilino)methyl]benzoate
Names & synonyms
SCHEMBL5361493FIIGQYDJLBHRGO-UHFFFAOYSA-NMethyl 4-{[(4-chloro-2-nitrophenyl)amino]methyl}benzoate
Database identifiers
- PubChem CID
- 69417003
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Related reactions
3 records
Compound notes
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