| CAS Number | 1193244-93-7 |
| Catalog Number | AG01FSFG(AGN-PC-3H603P) |
| Chemical Name | 2-Bromo-4-(methylsulfonyl)pyridine |
| IUPAC Name | 2-bromo-4-methylsulfonylpyridine |
| InChI | InChI=1S/C6H6BrNO2S/c1-11(9,10)5-2-3-8-6(7)4-5/h2-4H,1H3 |
| InChI Key | OJWJBAZLEUHHDU-UHFFFAOYSA-N |
| MDL Number | MFCD28402467 |
| Molecular Formula | C6H6BrNO2S |
| Molecular Weight | 236.0863 |
| SMILES | O=S(C1=CC(Br)=NC=C1)(C)=O |
| Synonyms | 2-Bromo-4-(methylsulfonyl)pyridine,
1193244-93-7,
Pyridine, 2-bromo-4-(methylsulfonyl)-,
SCHEMBL1403910,
CS-16249,
AK00739727,
CS-0094293,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.93026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.09g/mol |
| Monoisotopic Mass | 234.93026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number