2-fluoro-5-[2-(trifluoromethyl)phenyl]benzoic acid


Chemical Name: 2-fluoro-5-[2-(trifluoromethyl)phenyl]benzoic acid
CAS Number: 1261772-06-8
Product Number: AG000RZE(AGN-PC-09PVGY)
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:
356
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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Chemical Structure



The 4-Fluoro-2'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid is a versatile compound that finds significant application in chemical synthesis processes. This particular compound serves as a valuable building block in the creation of various organic molecules due to its unique structural features and reactivity. In chemical synthesis, this compound can be used as a key intermediate in the preparation of pharmaceutical ingredients, agrochemicals, and advanced materials. Its trifluoromethyl and fluoro substituents provide opportunities for introducing specific functional groups or enhancing the physicochemical properties of target molecules.Furthermore, the biphenyl backbone of the compound offers structural rigidity and versatility, making it a valuable scaffold for designing molecules with specific biological or physical properties. Overall, the 4-Fluoro-2'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid plays a crucial role in modern chemical synthesis strategies for the development of new compounds with potential applications in various industries.