| CAS Number | 1000887-24-0 |
| Catalog Number | AG01BCGQ |
| Chemical Name | Methyl 3-(chlorosulfonyl)pyridine-2-carboxylate |
| IUPAC Name | methyl 3-chlorosulfonylpyridine-2-carboxylate |
| InChI | InChI=1S/C7H6ClNO4S/c1-13-7(10)6-5(14(8,11)12)3-2-4-9-6/h2-4H,1H3 |
| InChI Key | NPGWMJZYBJTPRV-UHFFFAOYSA-N |
| MDL Number | MFCD19201239 |
| Molecular Formula | C7H6ClNO4S |
| Molecular Weight | 235.6448 |
| SMILES | COC(C1=C(S(Cl)(=O)=O)C=CC=N1)=O |
| Synonyms | methyl 3-(chlorosulfonyl)pyridine-2-carboxylate,
1000887-24-0,
SCHEMBL12378235,
AKOS006333119,
ZINC104534119,
|
| 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 |
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Certificate of Analysis
Lot Number