HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Nitrophenyl 4'-isobutyl-2-biphenylsulphonate
Identifiers & Physical Properties
| Molecular formula | C22H21NO5S |
|---|---|
| Average molar mass | 411.5 g/mol |
| Monoisotopic mass | 411.11404394 g/mol |
| SMILES | CC(C)Cc1ccc(-c2ccccc2S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 |
| InChIKey | RIKWZHVYIBIJMI-UHFFFAOYSA-N |
| PubChem CID | 18704792 |
Chemical & Physical Properties
| XLogP | 6.1 |
|---|---|
| Topological polar surface area | 97.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 623 |