Home Sulfos 4-bromo-1-methyl-1H-pyrazole-5-sulfonyl chloride

4-bromo-1-methyl-1H-pyrazole-5-sulfonyl chloride

CAS No.:
1603244-22-9
Catalog Number:
AG01B86G
Molecular Formula:
C4H4BrClN2O2S
Molecular Weight:
259.5088
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Product Description
Catalog Number:
AG01B86G
Chemical Name:
4-bromo-1-methyl-1H-pyrazole-5-sulfonyl chloride
CAS Number:
1603244-22-9
Molecular Formula:
C4H4BrClN2O2S
Molecular Weight:
259.5088
IUPAC Name:
4-bromo-2-methylpyrazole-3-sulfonyl chloride
InChI:
InChI=1S/C4H4BrClN2O2S/c1-8-4(11(6,9)10)3(5)2-7-8/h2H,1H3
InChI Key:
XQOBUYXVWCWNEH-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1S(=O)(=O)Cl)C
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.887g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.502g/mol
Monoisotopic Mass:
257.887g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties