HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzenesulfonothioic acid, S-(2-nitrophenyl) ester
Identifiers & Physical Properties
| CAS No. | 18512-80-6 |
|---|---|
| Molecular formula | C12H9NO4S2 |
| Average molar mass | 295.3 g/mol |
| Monoisotopic mass | 294.99730012 g/mol |
| SMILES | O=[N+]([O-])c1ccccc1SS(=O)(=O)c1ccccc1 |
| InChIKey | FXVFQVITXNZCHZ-UHFFFAOYSA-N |
| PubChem CID | 4491908 |
| DTXSID | DTXSID70403701 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 114 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 406 |