Home Other Building Blocks 1-SEC-BUTYL-1H-PYRAZOLE-5-SULFONYL CHLORIDE

1-SEC-BUTYL-1H-PYRAZOLE-5-SULFONYL CHLORIDE

CAS No.:
1245808-44-9
Catalog Number:
AG01AOIY
Molecular Formula:
C7H11ClN2O2S
Molecular Weight:
222.6924
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Product Description
Catalog Number:
AG01AOIY
Chemical Name:
1-SEC-BUTYL-1H-PYRAZOLE-5-SULFONYL CHLORIDE
CAS Number:
1245808-44-9
Molecular Formula:
C7H11ClN2O2S
Molecular Weight:
222.6924
MDL Number:
MFCD15976295
IUPAC Name:
2-butan-2-ylpyrazole-3-sulfonyl chloride
InChI:
InChI=1S/C7H11ClN2O2S/c1-3-6(2)10-7(4-5-9-10)13(8,11)12/h4-6H,3H2,1-2H3
InChI Key:
TUNSDONYUQYIRX-UHFFFAOYSA-N
SMILES:
CCC(n1nccc1S(=O)(=O)Cl)C
Properties
Complexity:
262  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties