HuagongsheHuagongshe Chemistry Print Report · For research reference only
Compound 78-265
compound 78-265 · Benzamide, 3,5-dibromo-N-(4-chloro-3-nitrophenyl)-2-hydroxy-

Identifiers & Physical Properties
| CAS No. | 72699-06-0 |
|---|---|
| Molecular formula | C13H7Br2ClN2O4 |
| Average molar mass | 450.46 g/mol |
| Monoisotopic mass | 447.84611 g/mol |
| SMILES | O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Br)cc(Br)c1O |
| InChIKey | JFYGKHWLKQBUJI-UHFFFAOYSA-N |
| PubChem CID | 175113 |
| DTXSID | DTXSID10222998 |
Chemical & Physical Properties
| XLogP | 4.8 |
|---|---|
| Topological polar surface area | 95.2 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 437 |
| Boiling point | 448.8±45.0 °C(Predicted) |
| Density | 2.020±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 5.82±0.48(Predicted) |