Home Other Building Blocks 1-ISOPROPYL-3-METHYL-1H-PYRAZOLE-5-SULFONYL CHLORIDE

1-ISOPROPYL-3-METHYL-1H-PYRAZOLE-5-SULFONYL CHLORIDE

CAS No.:
1245823-44-2
Catalog Number:
AG01AOJU
Molecular Formula:
C7H11ClN2O2S
Molecular Weight:
222.6924
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Product Description
Catalog Number:
AG01AOJU
Chemical Name:
1-ISOPROPYL-3-METHYL-1H-PYRAZOLE-5-SULFONYL CHLORIDE
CAS Number:
1245823-44-2
Molecular Formula:
C7H11ClN2O2S
Molecular Weight:
222.6924
MDL Number:
MFCD15976432
IUPAC Name:
5-methyl-2-propan-2-ylpyrazole-3-sulfonyl chloride
InChI:
InChI=1S/C7H11ClN2O2S/c1-5(2)10-7(13(8,11)12)4-6(3)9-10/h4-5H,1-3H3
InChI Key:
UNTCGGASZJGZSD-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1)S(=O)(=O)Cl)C(C)C
Properties
Complexity:
273  
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:
2  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties