| CAS Number | 1314922-70-7 |
| Catalog Number | AG01B2WA |
| Chemical Name | 3-ethyl-1-methyl-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 3-ethyl-1-methylpyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C6H9ClN2O2S/c1-3-5-6(12(7,10)11)4-9(2)8-5/h4H,3H2,1-2H3 |
| InChI Key | HRSCJNAABNELAR-UHFFFAOYSA-N |
| MDL Number | MFCD08457190 |
| Molecular Formula | C6H9ClN2O2S |
| Molecular Weight | 208.6659 |
| SMILES | CCC1C(S(Cl)(=O)=O)=CN(C)N=1 |
| Synonyms | 3-Ethyl-1-methyl-1H-pyrazole-4-sulfonyl chloride,
1314922-70-7,
AKOS006223661,
ZINC103691716,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.66g/mol |
| Monoisotopic Mass | 208.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number