Pyridine, 2-[[(2,4-dichlorophenyl)methyl]sulfonyl]-, 1-oxide
Basic information
- CAS
60264-11-1- Standard SMILES
O=S(=O)(Cc1ccc(Cl)cc1Cl)c1cccc[n+]1[O-]- InChIKey
SJHPNNCSTADPKF-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2NO3S
- Average molar mass
- 318.2 g/mol
- Monoisotopic mass
- 316.9680197
Names & identifiers
- Preferred name
- Pyridine, 2-[[(2,4-dichlorophenyl)methyl]sulfonyl]-, 1-oxide
- IUPAC
- 2-[(2,4-dichlorophenyl)methylsulfonyl]-1-oxidopyridin-1-ium
Names & synonyms
60264-11-1Pyridine, 2-[[(2,4-dichlorophenyl)methyl]sulfonyl]-, 1-oxideDTXSID403333692-(2,4-Dichloro-phenylmethanesulfonyl)-pyridine, 1-oxide2-[(2,4-dichlorophenyl)methylsulfonyl]-1-oxido-pyridin-1-ium2-[(2,4-Dichlorophenyl)methanesulfonyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
60264-11-1- PubChem CID
- 501103
- DTXSID
DTXSID40333369
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 398
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Compound notes
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