3-(Difluoromethyl)-1-methyl-1H-pyrazole-5-sulfonyl Chloride - CAS 1245822-61-0
Catalog: |
BB066597 |
Product Name: |
3-(Difluoromethyl)-1-methyl-1H-pyrazole-5-sulfonyl Chloride |
CAS: |
1245822-61-0 |
IUPAC Name: | 5-(difluoromethyl)-2-methylpyrazole-3-sulfonyl chloride |
Description: | 3-(Difluoromethyl)-1-methyl-1H-pyrazole-5-sulfonyl Chloride is useful research chemical. |
Molecular Weight: | 230.61 |
Molecular Formula: | C5H5ClF2N2O2S |
Canonical SMILES: | CN1C(=CC(=N1)C(F)F)S(=O)(=O)Cl |
InChI: | InChI=1S/C5H5ClF2N2O2S/c1-10-4(13(6,11)12)2-3(9-10)5(7)8/h2,5H,1H3 |
InChI Key: | WVBYLZBJKDWXBT-UHFFFAOYSA-N |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.9728326 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.9728326 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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