| CAS Number | 1063733-25-4 |
| Catalog Number | AG01A44F(AGN-PC-0WO18R) |
| Chemical Name | methyl 5-(chlorosulfonyl)pyridine-2-carboxylate |
| IUPAC Name | methyl 5-chlorosulfonylpyridine-2-carboxylate |
| InChI | InChI=1S/C7H6ClNO4S/c1-13-7(10)6-3-2-5(4-9-6)14(8,11)12/h2-4H,1H3 |
| InChI Key | KNWRLXXUWDOFIN-UHFFFAOYSA-N |
| MDL Number | MFCD18254200 |
| Molecular Formula | C7H6ClNO4S |
| Molecular Weight | 235.6448 |
| SMILES | ClS(=O)(=O)C=1C=CC(=NC1)C(=O)OC |
| Synonyms | methyl 5-(chlorosulfonyl)pyridine-2-carboxylate,
1063733-25-4,
SCHEMBL3153788,
KNWRLXXUWDOFIN-UHFFFAOYSA-N,
Methyl 5-(chlorosulfonyl)picolinate,
MFCD18254200,
AKOS006334045,
ZINC100361252,
NE18676,
BS-13983,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.638g/mol |
| Monoisotopic Mass | 234.971g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number