| CAS Number | 1209459-93-7 |
| Catalog Number | AG009566 |
| Chemical Name | 4-Bromo-2-(methylsulfonyl)pyridine |
| IUPAC Name | 4-bromo-2-methylsulfonylpyridine |
| InChI | InChI=1S/C6H6BrNO2S/c1-11(9,10)6-4-5(7)2-3-8-6/h2-4H,1H3 |
| InChI Key | YQTXDFHKOLQWSE-UHFFFAOYSA-N |
| MDL Number | MFCD14702650 |
| Molecular Formula | C6H6BrNO2S |
| Molecular Weight | 236.0863 |
| SMILES | O=S(C1=NC=CC(Br)=C1)(C)=O |
| Synonyms | 4-BROMO-2-(METHYLSULFONYL)PYRIDINE,
1209459-93-7,
4-Bromo-2-(methylsulphonyl)pyridine,
4-Bromo-2-(methanesulfonyl)pyridine,
DTXSID40700097,
MFCD14702650,
ZINC88190228,
AKOS024105970,
FCH1387416,
MB13938,
OR12639,
PS-11712,
DB-061836,
FT-0766105,
|
| 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