| Melting point |
220-224 °C (lit.) |
| Boiling point |
365.56°C (rough estimate) |
| Density |
1.4656 (rough estimate) |
| refractive index |
1.5570 (estimate) |
| storage temp. |
2-8°C |
| pka |
3.62±0.10(Predicted) |
| form |
solid |
| BRN |
2217819 |
| InChI |
1S/C9H8N2O5/c1-5(12)10-7-3-2-6(9(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14) |
| InChIKey |
BRQIMWBIZLRLSV-UHFFFAOYSA-N |
| SMILES |
CC(=O)Nc1ccc(cc1[N+]([O-])=O)C(O)=O |
| CAS DataBase Reference |
1539-06-6(CAS DataBase Reference) |
| EPA Substance Registry System |
Benzoic acid, 4-(acetylamino)-3-nitro- (1539-06-6) |
