2-bromo-1-methyl-4-(trifluoromethylsulfonyl)benzene


Chemical Name: 2-bromo-1-methyl-4-(trifluoromethylsulfonyl)benzene
CAS Number: 1133116-35-4
Product Number: AG0079F2(AGN-PC-07XUB3)
Synonyms:
MDL No: MFCD11855954
Molecular Formula: C8H6BrF3O2S
Molecular Weight: 303.0962

Identification/Properties


Computed Properties
Molecular Weight:
303.093g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
301.922g/mol
Monoisotopic Mass:
301.922g/mol
Topological Polar Surface Area:
42.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
320
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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