| CAS Number | 1122567-32-1 |
| Catalog Number | AG01AIR2 |
| Chemical Name | Methyl 3-(chlorosulfonyl)-1-methyl-1H-pyrazole-5-carboxylate |
| IUPAC Name | methyl 5-chlorosulfonyl-2-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C6H7ClN2O4S/c1-9-4(6(10)13-2)3-5(8-9)14(7,11)12/h3H,1-2H3 |
| InChI Key | VPCXPKBLPDHQFZ-UHFFFAOYSA-N |
| MDL Number | MFCD19201260 |
| Molecular Formula | C6H7ClN2O4S |
| Molecular Weight | 238.6488 |
| SMILES | COC(C1N(C)N=C(S(Cl)(=O)=O)C=1)=O |
| Synonyms | methyl 3-(chlorosulfonyl)-1-methyl-1H-pyrazole-5-carboxylate,
1122567-32-1,
SCHEMBL19508022,
AKOS006335205,
ZINC104543844,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.642g/mol |
| Monoisotopic Mass | 237.982g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number