HuagongsheHuagongshe Chemistry Print Report · For research reference only
[3-(trifluoromethyl)-2H-indazol-6-yl] methanesulfonate
![[3-(trifluoromethyl)-2H-indazol-6-yl] methanesulfonate molecular structure](/img/chemical/59373802.png)
Identifiers & Physical Properties
| CAS No. | 1221178-72-8 |
|---|---|
| Molecular formula | C9H7F3N2O3S |
| Average molar mass | 280.23 g/mol |
| Monoisotopic mass | 280.01294774 g/mol |
| SMILES | CS(=O)(=O)Oc1ccc2c(C(F)(F)F)[nH]nc2c1 |
| InChIKey | HFJVGDKPCNNZOV-UHFFFAOYSA-N |
| PubChem CID | 59373802 |
| DTXSID | DTXSID301198734 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 80.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 2 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 406 |