HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3-Di-(4-nitrophenyl)-5-t-butyl-2H-tetrazolium
2,3-di-(4-nitrophenyl)-5-t-butyl-2H-tetrazolium · 5-tert-butyl-2,3-bis(4-nitrophenyl)tetrazol-2-ium
Identifiers & Physical Properties
| CAS No. | 157458-76-9 |
|---|---|
| Molecular formula | C17H17ClN6O4 |
| Average molar mass | 404.8 g/mol |
| Monoisotopic mass | 404.0999807 g/mol |
| SMILES | CC(C)(C)c1nn(-c2ccc([N+](=O)[O-])cc2)[n+](-c2ccc([N+](=O)[O-])cc2)n1.[Cl-] |
| InChIKey | WXBYFPXRNHZLPD-UHFFFAOYSA-M |
| PubChem CID | 190876 |
| DTXSID | DTXSID30935674 |
Chemical & Physical Properties
| Topological polar surface area | 126 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 3 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 499 |