3-fluoro-5-[4-(trifluoromethyl)phenyl]benzoic acid


Chemical Name: 3-fluoro-5-[4-(trifluoromethyl)phenyl]benzoic acid
CAS Number: 1261824-93-4
Product Number: AG000S0R(AGN-PC-09O1AH)
Synonyms:
MDL No:
Molecular Formula: C14H8F4O2
Molecular Weight: 284.2057

Identification/Properties


Computed Properties
Molecular Weight:
284.21g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
284.046g/mol
Monoisotopic Mass:
284.046g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
348
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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