3-(Difluoromethyl)-1H-pyrazole-4-sulfonyl chloride - CAS 1946828-34-7
Catalog: |
BB051520 |
Product Name: |
3-(Difluoromethyl)-1H-pyrazole-4-sulfonyl chloride |
CAS: |
1946828-34-7 |
Synonyms: |
1H-Pyrazole-4-sulfonyl chloride, 3-(difluoromethyl)- |
IUPAC Name: | 5-(difluoromethyl)-1H-pyrazole-4-sulfonyl chloride |
Molecular Weight: | 216.59 |
Molecular Formula: | C4H3ClF2N2O2S |
Canonical SMILES: | C1=NNC(=C1S(=O)(=O)Cl)C(F)F |
InChI: | InChI=1S/C4H3ClF2N2O2S/c5-12(10,11)2-1-8-9-3(2)4(6)7/h1,4H,(H,8,9) |
InChI Key: | WUUJCIDGGHTSSK-UHFFFAOYSA-N |
Boiling Point: | 386.0±42.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.724±0.06 g/cm3 (Predicted) |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.9571825 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.9571825 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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