Home Sulfos 1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride

1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride

CAS No.:
1177336-51-4
Catalog Number:
AG01AKRC
Molecular Formula:
C6H9ClN2O2S
Molecular Weight:
208.6659
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Product Description
Catalog Number:
AG01AKRC
Chemical Name:
1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CAS Number:
1177336-51-4
Molecular Formula:
C6H9ClN2O2S
Molecular Weight:
208.6659
MDL Number:
MFCD12403828
IUPAC Name:
1-propan-2-ylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C6H9ClN2O2S/c1-5(2)9-4-6(3-8-9)12(7,10)11/h3-5H,1-2H3
InChI Key:
NMTQIKMRKYKKBZ-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1)S(=O)(=O)Cl)C
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.007g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.66g/mol
Monoisotopic Mass:
208.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties