Home Sulfos 3-bromo-1-methyl-1H-pyrazole-4-sulfonyl chloride

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

CAS No.:
1378866-77-3
Catalog Number:
AG01BS8J
Molecular Formula:
C4H4BrClN2O2S
Molecular Weight:
259.5088
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Product Description
Catalog Number:
AG01BS8J
Chemical Name:
3-bromo-1-methyl-1H-pyrazole-4-sulfonyl chloride
CAS Number:
1378866-77-3
Molecular Formula:
C4H4BrClN2O2S
Molecular Weight:
259.5088
MDL Number:
MFCD13689115
IUPAC Name:
3-bromo-1-methylpyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C4H4BrClN2O2S/c1-8-2-3(4(5)7-8)11(6,9)10/h2H,1H3
InChI Key:
LRAIKAPRQUBEQH-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)S(=O)(=O)Cl)Br
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