HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-(2-Methyl-5-nitrophenyl)acetamide
4-Nitro-2-acetamidotoluene · 2-Acetylamino-4-nitrotoluene · 5'-NITRO-ORTHO-ACETOTOLUIDIDE · N-(2-Methyl-5-nitrophenyl)acetamide · Acetamide, N-(2-methyl-5-nitrophenyl)-
Identifiers & Physical Properties
| CAS No. | 2879-79-0 |
|---|---|
| Molecular formula | C9H10N2O3 |
| Average molar mass | 194.19 g/mol |
| Monoisotopic mass | 194.06914219 g/mol |
| SMILES | CC(=O)Nc1cc([N+](=O)[O-])ccc1C |
| InChIKey | YMHUULKGTGEHHQ-UHFFFAOYSA-N |
| PubChem CID | 76144 |
| EC No. | 220-727-9 |
| DTXSID | DTXSID80182974 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 74.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 237 |
| Melting point | 150-151 °C(Solv: ethanol (64-17-5)) |
| Boiling point | 374.4±30.0 °C(Predicted) |
| Density | 1.289±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 14.21±0.70(Predicted) |