HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(3-Methylsulfonylaminophenyl)-2-nitrobenzoic acid
Identifiers & Physical Properties
| CAS No. | 1261917-56-9 |
|---|---|
| Molecular formula | C14H12N2O6S |
| Average molar mass | 336.32 g/mol |
| Monoisotopic mass | 336.04160728 g/mol |
| SMILES | CS(=O)(=O)Nc1cccc(-c2ccc(C(=O)O)c([N+](=O)[O-])c2)c1 |
| InChIKey | GMUQIWROFKDJRG-UHFFFAOYSA-N |
| PubChem CID | 53228551 |
| DTXSID | DTXSID40692084 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 138 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 4 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 553 |