HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Chloroisoquinoline-5-sulfonyl chloride
Identifiers & Physical Properties
| CAS No. | 194032-34-3 |
|---|---|
| Molecular formula | C9H5Cl2NO2S |
| Average molar mass | 262.11 g/mol |
| Monoisotopic mass | 260.94180476 g/mol |
| SMILES | O=S(=O)(Cl)c1cccc2cncc(Cl)c12 |
| InChIKey | IVRAWSOJSGNOIC-UHFFFAOYSA-N |
| PubChem CID | 22121908 |
| DTXSID | DTXSID50622615 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 55.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 327 |