Basic information
- CAS
62381-91-3- Standard SMILES
O=S(Cc1cccc(C(F)(F)F)c1)c1cccc[n+]1[O-]- InChIKey
RATYGBHLCXGUEX-UHFFFAOYSA-N- Molecular formula
- C13H10F3NO2S
- Average molar mass
- 301.29 g/mol
- Monoisotopic mass
- 301.03843422
Names & identifiers
- Preferred name
- 1-Oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium
- IUPAC
- 1-oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium
Names & synonyms
1-oxido-2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]pyridin-1-ium62381-91-3DTXSID803333832-(3-Trifluoromethyl-phenylmethanesulfinyl)-pyridine, 1-oxide1-Oxo-2-{[3-(trifluoromethyl)phenyl]methanesulfinyl}-1lambda~5~-pyridine
Database identifiers
- CAS
62381-91-3- PubChem CID
- 501129
- DTXSID
DTXSID80333383
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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