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CAS 1017779-28-0

:

5-Methyl-2-(trifluoromethyl)benzenepropanoic acid

Description:
5-Methyl-2-(trifluoromethyl)benzenepropanoic acid, identified by its CAS number 1017779-28-0, is an organic compound characterized by a benzene ring substituted with both a methyl group and a trifluoromethyl group, along with a propanoic acid functional group. This compound exhibits properties typical of aromatic carboxylic acids, including potential acidity due to the carboxylic acid group, which can donate protons in solution. The presence of the trifluoromethyl group enhances the compound's lipophilicity and may influence its reactivity and interaction with biological systems. Additionally, the methyl group can affect the steric hindrance around the aromatic ring, potentially impacting its chemical behavior. The compound is likely to be a solid at room temperature, with solubility in organic solvents, and may have applications in pharmaceuticals or agrochemicals due to its unique structural features. Its specific reactivity and applications would depend on further studies and characterization, including its behavior in various chemical environments.
Formula:C11H11F3O2
InChI:InChI=1S/C11H11F3O2/c1-7-2-4-9(11(12,13)14)8(6-7)3-5-10(15)16/h2,4,6H,3,5H2,1H3,(H,15,16)
InChI key:InChIKey=IWLLHXJQPUHXAU-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(CCC(O)=O)C=C(C)C=C1
Synonyms:
  • 5-Methyl-2-(trifluoromethyl)benzenepropanoic acid
  • Benzenepropanoic acid, 5-methyl-2-(trifluoromethyl)-
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