HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Chloro-2-hydroxy-N-(4-nitrophenyl)benzamide
Cent-72608 · Cent-72-608 · Niclosamide Impurity 4 · N-(4-Nitrophenyl)-5-chlorosalicylamide · N-(4-Nitrophenyl)-5-chloro-2-hydroxybenzamide · 5-chloro-2-hydroxy-N-(4-nitrophenyl)benzamide · Benzamide, 5-chloro-2-hydroxy-N-(4-nitrophenyl)-

Identifiers & Physical Properties
| CAS No. | 4638-49-7 |
|---|---|
| Molecular formula | C13H9ClN2O4 |
| Average molar mass | 292.67 g/mol |
| Monoisotopic mass | 292.02508445 g/mol |
| SMILES | O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O |
| InChIKey | HTXGLMUZXAFRII-UHFFFAOYSA-N |
| PubChem CID | 487721 |
| ChEMBL | CHEMBL2088010 |
| DTXSID | DTXSID701251380 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 95.2 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 366 |
| Melting point | 260 °C |
| Boiling point | 414.4±45.0 °C(Predicted) |
| Density | 1.536±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 7.56±0.43(Predicted) |