Pyridine, 2-[[(4-nitrophenyl)methyl]sulfonyl]-, 1-oxide
Basic information
- CAS
62381-75-3- Standard SMILES
O=[N+]([O-])c1ccc(CS(=O)(=O)c2cccc[n+]2[O-])cc1- InChIKey
ZVTOTTDSEPRIPD-UHFFFAOYSA-N- Molecular formula
- C12H10N2O5S
- Average molar mass
- 294.29 g/mol
- Monoisotopic mass
- 294.0310426
Names & identifiers
- Preferred name
- Pyridine, 2-[[(4-nitrophenyl)methyl]sulfonyl]-, 1-oxide
- IUPAC
- 2-[(4-nitrophenyl)methylsulfonyl]-1-oxidopyridin-1-ium
Names & synonyms
62381-75-3Pyridine, 2-[[(4-nitrophenyl)methyl]sulfonyl]-, 1-oxideDTXSID303333782-(4-Nitro-phenylmethanesulfonyl)-pyridine, 1-oxide2-[(4-nitrophenyl)methylsulfonyl]-1-oxido-pyridin-1-ium2-[(4-Nitrophenyl)methanesulfonyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
62381-75-3- PubChem CID
- 501115
- DTXSID
DTXSID30333378
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
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Compound notes
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