| CAS Number | 950693-94-4 |
| Catalog Number | AG005TFP(AGN-PC-0BSDCY) |
| Chemical Name | 2-(Benzenesulfonyl)-3-chloropyridine |
| IUPAC Name | 2-(benzenesulfonyl)-3-chloropyridine |
| InChI | InChI=1S/C11H8ClNO2S/c12-10-7-4-8-13-11(10)16(14,15)9-5-2-1-3-6-9/h1-8H |
| InChI Key | FKXNPYXLKZPBMG-UHFFFAOYSA-N |
| MDL Number | MFCD11113416 |
| Molecular Formula | C11H8ClNO2S |
| Molecular Weight | 253.7047 |
| SMILES | S(C1C=CC=CC=1)(=O)(=O)C1C(=CC=CN=1)Cl |
| Synonyms | 950693-94-4,
3-Chloro-2-(phenylsulfonyl)pyridine,
2-(benzenesulfonyl)-3-chloropyridine,
PYRIDINE, 3-CHLORO-2-(PHENYLSULFONYL)-,
CTK5H7356,
DTXSID70723471,
ZINC201337452,
PYRIDINE,3-CHLORO-2- -,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.7g/mol |
| Monoisotopic Mass | 252.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number