| CAS Number | 87695-79-2 |
| Catalog Number | AG0039IQ(AGN-PC-00OW0G) |
| Chemical Name | 2-Chloro-3-(ethanesulfonyl)pyridine |
| IUPAC Name | 2-chloro-3-ethylsulfonylpyridine |
| InChI | InChI=1S/C7H8ClNO2S/c1-2-12(10,11)6-4-3-5-9-7(6)8/h3-5H,2H2,1H3 |
| InChI Key | KRIGAYSDVBBXLW-UHFFFAOYSA-N |
| MDL Number | MFCD00661251 |
| Molecular Formula | C7H8ClNO2S |
| Molecular Weight | 205.6619 |
| SMILES | ClC1=NC=CC=C1S(=O)(=O)CC |
| Synonyms | 2-chloro-3-(ethylsulfonyl)pyridine,
87695-79-2,
2-chloro-3-ethylsulfonylpyridine,
2-chloro-3-(ethanesulfonyl)pyridine,
SCHEMBL4188301,
CTK6G4608,
SBB093550,
ZINC19815490,
AKOS005199287,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.656g/mol |
| Monoisotopic Mass | 204.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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