2-bromo-3-(trifluoromethyl)benzoic acid


Chemical Name: 2-bromo-3-(trifluoromethyl)benzoic acid
CAS Number: 177420-63-2
Product Number: AG0025B7(AGN-PC-00ONJW)
Synonyms:
MDL No:
Molecular Formula: C8H4BrF3O2
Molecular Weight: 269.0154

Identification/Properties


Computed Properties
Molecular Weight:
269.017g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
267.935g/mol
Monoisotopic Mass:
267.935g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
229
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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