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CAS 697739-04-1

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Benzoic acid, 3-amino-5-fluoro-2-methyl-, methyl ester

Description:
Benzoic acid, 3-amino-5-fluoro-2-methyl-, methyl ester, identified by the CAS number 697739-04-1, is an organic compound characterized by its benzoic acid structure modified with an amino group and a fluorine atom. This compound features a methyl ester functional group, which enhances its solubility in organic solvents and may influence its reactivity. The presence of the amino group introduces basic properties, while the fluorine atom can impart unique electronic characteristics, potentially affecting the compound's biological activity and chemical stability. Typically, such compounds are of interest in pharmaceutical and agrochemical research due to their potential applications in drug development and as intermediates in synthetic chemistry. The molecular structure suggests that it may exhibit specific interactions with biological targets, making it a candidate for further investigation in medicinal chemistry. Overall, the combination of functional groups in this compound contributes to its unique properties and potential utility in various chemical applications.
Formula:C9H10FNO2
InChI:InChI=1S/C9H10FNO2/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h3-4H,11H2,1-2H3
InChI key:InChIKey=KKIKUUCOPAYYIW-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(C)C(N)=CC(F)=C1
Synonyms:
  • Benzoic acid, 3-amino-5-fluoro-2-methyl-, methyl ester
  • Methyl 3-amino-5-fluoro-2-methylbenzoate
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