Basic information
- Standard SMILES
CS(=O)(=O)Oc1ccc2c(C(F)(F)F)[nH]nc2c1- InChIKey
HFJVGDKPCNNZOV-UHFFFAOYSA-N- Molecular formula
- C9H7F3N2O3S
- Average molar mass
- 280.23 g/mol
- Monoisotopic mass
- 280.01294774
Names & identifiers
- Preferred name
- [3-(trifluoromethyl)-2H-indazol-6-yl] methanesulfonate
- IUPAC
- [3-(trifluoromethyl)-2H-indazol-6-yl] methanesulfonate
Names & synonyms
SCHEMBL176703[3-(trifluoromethyl)-2H-indazol-6-yl] methanesulfonateHFJVGDKPCNNZOV-UHFFFAOYSA-NDTXSID3011987341221178-72-83-(Trifluoromethyl)-1H-indazol-6-yl methanesulfonate1H-Indazol-6-ol, 3-(trifluoromethyl)-, 6-methanesulfonate
Database identifiers
- CAS
1221178-72-8- PubChem CID
- 59373802
- DTXSID
DTXSID301198734
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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