| CAS Number | 1357566-60-9 |
| Catalog Number | AG00IL5X(AGN-PC-0WNGQP) |
| Chemical Name | 6-oxo-1,6-dihydropyridine-3-sulfonyl chloride |
| IUPAC Name | 6-oxo-1H-pyridine-3-sulfonyl chloride |
| InChI | InChI=1S/C5H4ClNO3S/c6-11(9,10)4-1-2-5(8)7-3-4/h1-3H,(H,7,8) |
| InChI Key | VYWHYGVVFBUDLY-UHFFFAOYSA-N |
| MDL Number | MFCD28680334 |
| Molecular Formula | C5H4ClNO3S |
| Molecular Weight | 193.6082 |
| SMILES | ClS(=O)(=O)C1=CNC(=O)C=C1 |
| Synonyms | 6-oxo-1,6-dihydropyridine-3-sulfonyl chloride,
1357566-60-9,
3-Pyridinesulfonyl chloride, 1,6-dihydro-6-oxo-,
MFCD28680334,
ZINC257884506,
KS-0000058T,
AS-53804,
CS-0050150,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.601g/mol |
| Monoisotopic Mass | 192.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number