Benzoic acid, 3-methyl-5-(trifluoromethyl)-


Chemical Name: Benzoic acid, 3-methyl-5-(trifluoromethyl)-
CAS Number: 117186-02-4
Product Number: AG000DVO(AGN-PC-0KKWYJ)
Synonyms:
MDL No: MFCD01631590
Molecular Formula: C9H7F3O2
Molecular Weight: 204.1459

Identification/Properties


Computed Properties
Molecular Weight:
204.148g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
204.04g/mol
Monoisotopic Mass:
204.04g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
225
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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