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Home Sulfos 4-Toluenesulfonyl bromide

4-Toluenesulfonyl bromide

CAS No.:
1950-69-2
Catalog Number:
AG00AOL9
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
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Product Description
Catalog Number:
AG00AOL9
Chemical Name:
4-Toluenesulfonyl bromide
CAS Number:
1950-69-2
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
IUPAC Name:
4-methylbenzenesulfonyl bromide
InChI:
InChI=1S/C7H7BrO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
InChI Key:
NTSFJZORNYYLFW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Br
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.935g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.095g/mol
Monoisotopic Mass:
233.935g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Radical addition of p-toluenesulfonyl bromide and p-toluenesulfonyl iodide to allenic alcohols and sulfonamides in the presence of AIBN: synthesis of heterocyclic compounds. The Journal of organic chemistry 20010518
Properties