CAS 170645-87-1
:benzoic acid, 3-fluoro-4-methoxy-, ethyl ester
Description:
Benzoic acid, 3-fluoro-4-methoxy-, ethyl ester, identified by CAS number 170645-87-1, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a benzoic acid backbone with a methoxy group (-OCH3) and a fluoro group (-F) positioned on the aromatic ring, specifically at the 3 and 4 positions, respectively. The ethyl ester indicates that the carboxylic acid part of benzoic acid is esterified with an ethyl group. This structure contributes to its chemical properties, including moderate polarity and potential for hydrogen bonding due to the presence of the methoxy group. The fluorine substituent can influence the compound's reactivity and solubility in various solvents. Benzoic acid derivatives are often studied for their applications in pharmaceuticals, agrochemicals, and as intermediates in organic synthesis. The presence of both electron-donating (methoxy) and electron-withdrawing (fluoro) groups can also affect the compound's electronic properties, making it of interest in medicinal chemistry and material science.
Formula:C10H11FO3
InChI:InChI=1/C10H11FO3/c1-3-14-10(12)7-4-5-9(13-2)8(11)6-7/h4-6H,3H2,1-2H3
SMILES:CCOC(=O)c1ccc(c(c1)F)OC
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