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1H-pyrazole-4-sulfonyl chloride

1H-pyrazole-4-sulfonyl chloride

CAS: 438630-64-9

Formula: C3H3ClN2O2S

SMILES: ClS(=O)(=O)C1=CNN=C1

IUPAC: 1H-pyrazole-4-sulfonyl chloride

InChI: InChI=1S/C3H3ClN2O2S/c4-9(7,8)3-1-5-6-2-3/h1-2H,(H,5,6)

Composition: C (21.63%), H (1.82%), Cl (21.28%), N (16.82%), O (19.21%), S (19.25%)

Molar Mass: 166.58

Atom Count: 12

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 165.9603762
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MRPFJQLRQGTKNI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.94
Topological Polar Surface Area 62.82
Polarizability 13.41
Ring Count 1
Rotatable Bond Count 1

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97% <6 Days 438630-64-9 $26.45-$97.75$26.45$33.35$97.75
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