1-isopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride


Chemical Name: 1-isopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CAS Number: 1183269-60-4
Product Number: AG00HEH3(AGN-PC-0WB5YG)
Synonyms:
MDL No: MFCD12403822
Molecular Formula: C8H13ClN2O2S
Molecular Weight: 236.7190

Identification/Properties


Computed Properties
Molecular Weight:
236.714g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
236.039g/mol
Monoisotopic Mass:
236.039g/mol
Topological Polar Surface Area:
60.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
299
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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