| CAS Number | 1209459-11-9 |
| Catalog Number | AG00J2SY(AGN-PC-0WRAQP) |
| Chemical Name | 2-Bromo-3-(methylsulfonyl)pyridine |
| IUPAC Name | 2-bromo-3-methylsulfonylpyridine |
| InChI | InChI=1S/C6H6BrNO2S/c1-11(9,10)5-3-2-4-8-6(5)7/h2-4H,1H3 |
| InChI Key | YECQWWGIRPFYBX-UHFFFAOYSA-N |
| MDL Number | MFCD14702655 |
| Molecular Formula | C6H6BrNO2S |
| Molecular Weight | 236.0863 |
| SMILES | S(C)(=O)(=O)C1=CC=CN=C1Br |
| Synonyms | 2-BROMO-3-(METHYLSULFONYL)PYRIDINE,
1209459-11-9,
MFCD14702655,
ZINC95775848,
AKOS024105974,
MB13950,
2-BROMO-3-METHANESULFONYLPYRIDINE,
N/A,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.083g/mol |
| Monoisotopic Mass | 234.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number