Basic information
- CAS
62381-81-1- Standard SMILES
O=S(=O)(Cc1ccc(F)cc1)c1cccc[n+]1[O-]- InChIKey
ILYZWGUKQFJZSM-UHFFFAOYSA-N- Molecular formula
- C12H10FNO3S
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.03654252
Names & identifiers
- Preferred name
- Pyridine, 2-[[(4-fluorophenyl)methyl]sulfonyl]-, 1-oxide
- IUPAC
- 2-[(4-fluorophenyl)methylsulfonyl]-1-oxidopyridin-1-ium
Names & synonyms
62381-81-1Pyridine, 2-[[(4-fluorophenyl)methyl]sulfonyl]-, 1-oxideDTXSID003333652-(4-Fluoro-phenylmethanesulfonyl)-pyridine, 1-oxide2-[(4-fluorophenyl)methylsulfonyl]-1-oxido-pyridin-1-ium2-[(4-Fluorophenyl)methanesulfonyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
62381-81-1- PubChem CID
- 501099
- DTXSID
DTXSID00333365
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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