| CAS Number | 99903-03-4 |
| Catalog Number | AG00IKCS(AGN-PC-0C0GNH) |
| Chemical Name | 2-Chloro-4-methanesulfonylpyridine |
| IUPAC Name | 2-chloro-4-methylsulfonylpyridine |
| InChI | InChI=1S/C6H6ClNO2S/c1-11(9,10)5-2-3-8-6(7)4-5/h2-4H,1H3 |
| InChI Key | USPURJZIFMFHCR-UHFFFAOYSA-N |
| MDL Number | MFCD14702708 |
| Molecular Formula | C6H6ClNO2S |
| Molecular Weight | 191.6353 |
| SMILES | CS(C1=CC(Cl)=NC=C1)(=O)=O |
| Synonyms | 99903-03-4,
2-Chloro-4-methanesulfonylpyridine,
2-chloro-4-(methylsulfonyl)pyridine,
Pyridine, 2-chloro-4-(methylsulfonyl)-,
SCHEMBL6883165,
ZINC146972424,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.629g/mol |
| Monoisotopic Mass | 190.981g/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
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