HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Chloro-5-(methanesulfonyl)-1H-indole

Identifiers & Physical Properties
| CAS No. | 1268816-56-3 |
|---|---|
| Molecular formula | C9H8ClNO2S |
| Average molar mass | 229.68 g/mol |
| Monoisotopic mass | 228.99642718 g/mol |
| SMILES | CS(=O)(=O)c1cc2cc[nH]c2cc1Cl |
| InChIKey | BXDBPXKGBZISFW-UHFFFAOYSA-N |
| PubChem CID | 68054863 |
| DTXSID | DTXSID501285565 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 58.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 311 |