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CAS 918321-27-4

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Benzoic acid, 2,4,5-triamino-3-fluoro-, methyl ester

Description:
Benzoic acid, 2,4,5-triamino-3-fluoro-, methyl ester, identified by the CAS number 918321-27-4, is a chemical compound that features a benzoic acid core modified with amino and fluoro functional groups. This compound typically exhibits properties characteristic of both aromatic compounds and amino acids, including potential solubility in polar solvents due to the presence of amino groups. The methyl ester functional group suggests that it may have ester-like reactivity, which can influence its chemical behavior in various reactions, such as hydrolysis or transesterification. The presence of the fluoro substituent can enhance the compound's biological activity and lipophilicity, potentially affecting its pharmacological properties. Additionally, the arrangement of the amino groups on the benzene ring can lead to diverse interactions in biological systems, making it of interest in medicinal chemistry. Overall, this compound's unique structure may contribute to its utility in research and potential applications in pharmaceuticals or agrochemicals.
Formula:C8H10FN3O2
InChI:InChI=1S/C8H10FN3O2/c1-14-8(13)3-2-4(10)7(12)5(9)6(3)11/h2H,10-12H2,1H3
InChI key:InChIKey=RADQVYGLIBGGAP-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(N)C(F)=C(N)C(N)=C1
Synonyms:
  • Benzoic acid, 2,4,5-triamino-3-fluoro-, methyl ester
  • Methyl 2,4,5-triamino-3-fluorobenzoate
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