HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Acetyl-N-(4-chloro-2-nitrophenyl)acetamide
N-4-CHLORO-2-NITROPHENYL ACETOACETAMIDE · N-Acetyl-N-(4-chloro-2-nitrophenyl)acetamide · Acetamide, N-acetyl-N-(4-chloro-2-nitrophenyl)-

Identifiers & Physical Properties
| CAS No. | 156499-65-9 |
|---|---|
| Molecular formula | C10H9ClN2O4 |
| Average molar mass | 256.64 g/mol |
| Monoisotopic mass | 256.02508445 g/mol |
| SMILES | CC(=O)N(C(C)=O)c1ccc(Cl)cc1[N+](=O)[O-] |
| InChIKey | AAXVXRONYAUOBD-UHFFFAOYSA-N |
| PubChem CID | 53401332 |
| DTXSID | DTXSID30694895 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 83.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 328 |
| Boiling point | 475.4±38.0 °C(Predicted) |
| Density | 1.438 |
| pKa (acidity coefficient) | -4.29±0.50(Predicted) |