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CAS 1261827-54-6

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Benzoic acid, 2-iodo-3-(trifluoromethyl)-, methyl ester

Description:
Benzoic acid, 2-iodo-3-(trifluoromethyl)-, methyl ester, identified by CAS number 1261827-54-6, is an organic compound characterized by its functional groups and structural features. It contains a benzoic acid moiety with a methyl ester group, which contributes to its solubility in organic solvents. The presence of a trifluoromethyl group and an iodine atom on the aromatic ring significantly influences its chemical reactivity and physical properties, such as polarity and boiling point. This compound is likely to exhibit unique biological activities due to the halogen substituents, which can enhance lipophilicity and alter interaction with biological targets. Additionally, the trifluoromethyl group is known for its electron-withdrawing properties, which can affect the acidity of the carboxylic acid group. Overall, this compound may find applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis, although specific applications would depend on further research into its properties and reactivity.
Formula:C9H6F3IO2
InChI:InChI=1S/C9H6F3IO2/c1-15-8(14)5-3-2-4-6(7(5)13)9(10,11)12/h2-4H,1H3
InChI key:InChIKey=NPSIQRQHJXGKPO-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(I)C(C(OC)=O)=CC=C1
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