Basic information
- Standard SMILES
O=C(Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1- InChIKey
JHPKILURIHKBMR-UHFFFAOYSA-N- Molecular formula
- C20H12Cl2N2O5
- Average molar mass
- 431.2 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-2-(2-chloro-4-nitrophenylcarbamoyl)phenyl benzoate
- IUPAC
- [4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] benzoate
Names & synonyms
TCMDC-124228Oprea1_296502CHEMBL532497SCHEMBL3793561SCHEMBL29617475JHPKILURIHKBMR-UHFFFAOYSA-N4-chloro-2-((2-chloro-4-nitrophenyl)carbamoyl)phenyl benzoate4-Chloro-2-(2-chloro-4-nitrophenylcarbamoyl)phenyl benzoate
Database identifiers
- PubChem CID
- 23966630
- ChEMBL
CHEMBL532497
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 608
Related reactions
3 records
Compound notes
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