HuagongsheHuagongshe Chemistry Print Report · For research reference only
Phenazine, 1,7-dinitro-
1,7-Dinitrophenazine · Phenazine, 1,7-dinitro-
Identifiers & Physical Properties
| CAS No. | 105836-99-5 |
|---|---|
| Molecular formula | C12H6N4O4 |
| Average molar mass | 270.2 g/mol |
| Monoisotopic mass | 270.03890469 g/mol |
| SMILES | O=[N+]([O-])c1ccc2nc3c([N+](=O)[O-])cccc3nc2c1 |
| InChIKey | XVHUXSNDANREND-UHFFFAOYSA-N |
| PubChem CID | 149708 |
| DTXSID | DTXSID80147361 |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 117 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 0 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 407 |
| Boiling point | 413.32°C (rough estimate) |
| Density | 1.4177 (rough estimate) |
| Refractive index | 1.6081 (estimate) |
| pKa (acidity coefficient) | -5.00±0.30(Predicted) |