4-Chloro-1-isobutyl-1H-pyrazole-5-sulfonyl chloride - CAS 1245823-43-1
Catalog: |
BB051617 |
Product Name: |
4-Chloro-1-isobutyl-1H-pyrazole-5-sulfonyl chloride |
CAS: |
1245823-43-1 |
Synonyms: |
4-chloro-2-isobutyl-pyrazole-3-sulfonyl chloride; chloro[4-chloro-1-(2-methylpropyl)pyrazol-5-yl]sulfone |
IUPAC Name: | 4-chloro-2-(2-methylpropyl)pyrazole-3-sulfonyl chloride |
Molecular Weight: | 257.14 |
Molecular Formula: | C7H10Cl2N2O2S |
Canonical SMILES: | CC(C)CN1C(=C(C=N1)Cl)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H10Cl2N2O2S/c1-5(2)4-11-7(14(9,12)13)6(8)3-10-11/h3,5H,4H2,1-2H3 |
InChI Key: | ZPTUXEQBVSWCEZ-UHFFFAOYSA-N |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.9840041 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.9840041 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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