1-Isobutyl-3-methyl-1h-pyrazole-5-sulfonyl chloride - CAS 1245806-70-5
Catalog: |
BB053326 |
Product Name: |
1-Isobutyl-3-methyl-1h-pyrazole-5-sulfonyl chloride |
CAS: |
1245806-70-5 |
Synonyms: |
1-isobutyl-3-methyl-1h-pyrazole-5-sulfonylchloride |
IUPAC Name: | 5-methyl-2-(2-methylpropyl)pyrazole-3-sulfonyl chloride |
Molecular Weight: | 236.72 |
Molecular Formula: | C8H13ClN2O2S |
Canonical SMILES: | CC1=NN(C(=C1)S(=O)(=O)Cl)CC(C)C |
InChI: | InChI=1S/C8H13ClN2O2S/c1-6(2)5-11-8(14(9,12)13)4-7(3)10-11/h4,6H,5H2,1-3H3 |
InChI Key: | WIABXQPBHUWBFP-UHFFFAOYSA-N |
Boiling Point: | 337.9±30.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.0386265 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.0386265 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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