HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Uretidinedione, 1,3-bis(p-nitrophenyl)-
1,3-Bis(p-nitrophenyl)-2,4-uretidinedione · 1,3-Diazetidine-2,4-dione, 1,3-bis(4-nitrophenyl)-
Identifiers & Physical Properties
| CAS No. | 27272-54-4 |
|---|---|
| Molecular formula | C14H8N4O6 |
| Average molar mass | 328.24 g/mol |
| Monoisotopic mass | 328.04438399 g/mol |
| SMILES | O=C1N(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 |
| InChIKey | SLEIUMJQAQQWOQ-UHFFFAOYSA-N |
| PubChem CID | 213914 |
| DTXSID | DTXSID20181724 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 132 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 2 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 489 |
| Melting point | 300 °C (sublm) |
| Boiling point | 533.5±60.0 °C(Predicted) |
| Density | 1.656±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | -5.03±0.20(Predicted) |