HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Methoxyaniline; 1,3,5-trinitrobenzene
Identifiers & Physical Properties
| CAS No. | 34875-98-4 |
|---|---|
| Molecular formula | C13H12N4O7 |
| Average molar mass | 336.26 g/mol |
| Monoisotopic mass | 336.07059873 g/mol |
| SMILES | COc1ccccc1N.O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 |
| InChIKey | AIMVWCGMHCOYKA-UHFFFAOYSA-N |
| PubChem CID | 348607 |
| DTXSID | DTXSID90324929 |
Chemical & Physical Properties
| Topological polar surface area | 173 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 1 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 314 |