3-(3-methylphenyl)-5-(trifluoromethyl)benzoic acid


Chemical Name: 3-(3-methylphenyl)-5-(trifluoromethyl)benzoic acid
CAS Number: 1261953-10-9
Product Number: AG000S8W(AGN-PC-09Q4KO)
Synonyms:
MDL No:
Molecular Formula: C15H11F3O2
Molecular Weight: 280.2418

Identification/Properties


Computed Properties
Molecular Weight:
280.246g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
280.071g/mol
Monoisotopic Mass:
280.071g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
354
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


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