Pyridine, 2-[[(3-bromophenyl)methyl]sulfonyl]-, 1-oxide
Basic information
- CAS
62382-08-5- Standard SMILES
O=S(=O)(Cc1cccc(Br)c1)c1cccc[n+]1[O-]- InChIKey
WRCTXXTYWOQCAV-UHFFFAOYSA-N- Molecular formula
- C12H10BrNO3S
- Average molar mass
- 328.18 g/mol
- Monoisotopic mass
- 326.95648
Names & identifiers
- Preferred name
- Pyridine, 2-[[(3-bromophenyl)methyl]sulfonyl]-, 1-oxide
- IUPAC
- 2-[(3-bromophenyl)methylsulfonyl]-1-oxidopyridin-1-ium
Names & synonyms
62382-08-5Pyridine, 2-[[(3-bromophenyl)methyl]sulfonyl]-, 1-oxideCHEMBL358247DTXSID903333742-(3-Bromo-phenylmethanesulfonyl)-pyridine, 1-oxide2-[(3-bromophenyl)methylsulfonyl]-1-oxido-pyridin-1-ium2-[(3-Bromophenyl)methanesulfonyl]-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
62382-08-5- PubChem CID
- 501110
- DTXSID
DTXSID90333374- ChEMBL
CHEMBL358247
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
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Compound notes
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