1-(2-Fluoroethyl)-1H-pyrazole-4-sulfonyl chloride - CAS 1429419-55-5
Catalog: |
BB052300 |
Product Name: |
1-(2-Fluoroethyl)-1H-pyrazole-4-sulfonyl chloride |
CAS: |
1429419-55-5 |
Synonyms: |
1H-Pyrazole-4-sulfonyl chloride, 1-(2-fluoroethyl)- |
IUPAC Name: | 1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride |
Molecular Weight: | 212.63 |
Molecular Formula: | C5H6ClFN2O2S |
Canonical SMILES: | C1=C(C=NN1CCF)S(=O)(=O)Cl |
InChI: | InChI=1S/C5H6ClFN2O2S/c6-12(10,11)5-3-8-9(4-5)2-1-7/h3-4H,1-2H2 |
InChI Key: | PQBTVMMMQLFQEY-UHFFFAOYSA-N |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.9822545 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.9822545 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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