3-(3,5-difluorophenyl)-5-(trifluoromethyl)benzoic acid


Chemical Name: 3-(3,5-difluorophenyl)-5-(trifluoromethyl)benzoic acid
CAS Number: 1261950-34-8
Product Number: AG000S91(AGN-PC-09O043)
Synonyms:
MDL No:
Molecular Formula: C14H7F5O2
Molecular Weight: 302.1962

Identification/Properties


Computed Properties
Molecular Weight:
302.2g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
302.037g/mol
Monoisotopic Mass:
302.037g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
374
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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