Home Sulfos 1-isobutylpyrazole-4-sulfonyl chloride

1-isobutylpyrazole-4-sulfonyl chloride

CAS No.:
1156915-65-9
Catalog Number:
AG019D5E
Molecular Formula:
C7H11ClN2O2S
Molecular Weight:
222.6924
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Product Description
Catalog Number:
AG019D5E
Chemical Name:
1-isobutylpyrazole-4-sulfonyl chloride
CAS Number:
1156915-65-9
Molecular Formula:
C7H11ClN2O2S
Molecular Weight:
222.6924
MDL Number:
MFCD09701483
IUPAC Name:
1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C7H11ClN2O2S/c1-6(2)4-10-5-7(3-9-10)13(8,11)12/h3,5-6H,4H2,1-2H3
InChI Key:
ZUUQAAYNIIUCBB-UHFFFAOYSA-N
SMILES:
CC(Cn1ncc(c1)S(=O)(=O)Cl)C
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.023g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.687g/mol
Monoisotopic Mass:
222.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties