1-Cyclopentyl-3-methyl-1h-pyrazole-5-sulfonyl chloride - CAS 1245806-72-7
Catalog: |
BB053335 |
Product Name: |
1-Cyclopentyl-3-methyl-1h-pyrazole-5-sulfonyl chloride |
CAS: |
1245806-72-7 |
Synonyms: |
1-cyclopentyl-3-methyl-1h-pyrazole-5-sulfonylchloride |
IUPAC Name: | 2-cyclopentyl-5-methylpyrazole-3-sulfonyl chloride |
Molecular Weight: | 248.73 |
Molecular Formula: | C9H13ClN2O2S |
Canonical SMILES: | CC1=NN(C(=C1)S(=O)(=O)Cl)C2CCCC2 |
InChI: | InChI=1S/C9H13ClN2O2S/c1-7-6-9(15(10,13)14)12(11-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3 |
InChI Key: | JJPKWCSOOOBIPT-UHFFFAOYSA-N |
Boiling Point: | 385.8±30.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.0386265 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.0386265 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Cyclopentane
Halides
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