| CAS Number | 1208081-98-4 |
| Catalog Number | AG01A2U8(AGN-PC-0WNLJS) |
| Chemical Name | 2-Chloro-5-methylpyridine-3-sulfonyl chloride |
| IUPAC Name | 2-chloro-5-methylpyridine-3-sulfonyl chloride |
| InChI | InChI=1S/C6H5Cl2NO2S/c1-4-2-5(12(8,10)11)6(7)9-3-4/h2-3H,1H3 |
| InChI Key | BVVCMKNJSMDRPV-UHFFFAOYSA-N |
| MDL Number | MFCD15142818 |
| Molecular Formula | C6H5Cl2NO2S |
| Molecular Weight | 226.0804 |
| SMILES | O=S(C1=CC(C)=CN=C1Cl)(Cl)=O |
| Synonyms | 2-Chloro-5-methyl-pyridine-3-sulfonyl chloride,
2-chloro-5-methylpyridine-3-sulfonyl chloride,
1208081-98-4,
CTK6C3559,
SBB096917,
AKOS006336345,
ZINC100215581,
TR-071939,
chloro(2-chloro-5-methyl(3-pyridyl))sulfone,
Z-1957,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.941805g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.08g/mol |
| Monoisotopic Mass | 224.941805g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number