Home Sulfos 4-bromo-1,5-dimethyl-1H-pyrazole-3-sulfonyl chloride

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

CAS No.:
1538239-71-2
Catalog Number:
AG01BGKO
Molecular Formula:
C5H6BrClN2O2S
Molecular Weight:
273.5353
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Product Description
Catalog Number:
AG01BGKO
Chemical Name:
4-bromo-1,5-dimethyl-1H-pyrazole-3-sulfonyl chloride
CAS Number:
1538239-71-2
Molecular Formula:
C5H6BrClN2O2S
Molecular Weight:
273.5353
MDL Number:
MFCD23777333
IUPAC Name:
4-bromo-1,5-dimethylpyrazole-3-sulfonyl chloride
InChI:
InChI=1S/C5H6BrClN2O2S/c1-3-4(6)5(8-9(3)2)12(7,10)11/h1-2H3
InChI Key:
FTPKPJQBHOLRBS-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1C)Br)S(=O)(=O)Cl
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.902g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.529g/mol
Monoisotopic Mass:
271.902g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties