| CAS Number | 1314899-09-6 |
| Catalog Number | AG01BBJA |
| Chemical Name | 2-(Chlorosulfonyl)pyridine-4-carboxylic acid |
| IUPAC Name | 2-chlorosulfonylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C6H4ClNO4S/c7-13(11,12)5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10) |
| InChI Key | FFFSCIPJGYLENK-UHFFFAOYSA-N |
| MDL Number | MFCD19200863 |
| Molecular Formula | C6H4ClNO4S |
| Molecular Weight | 221.6183 |
| SMILES | OC(C1=CC(S(Cl)(=O)=O)=NC=C1)=O |
| Synonyms | 2-(chlorosulfonyl)pyridine-4-carboxylic acid,
1314899-09-6,
AKOS006335455,
ZINC104544832,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.611g/mol |
| Monoisotopic Mass | 220.955g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number