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CAS 325786-25-2

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Benzoic acid, 5-borono-2-chloro-4-fluoro-, 1-ethyl ester

Description:
Benzoic acid, 5-borono-2-chloro-4-fluoro-, 1-ethyl ester, identified by CAS number 325786-25-2, is a chemical compound that features a benzoic acid core modified with several functional groups. The presence of a boron atom indicates potential applications in organoboron chemistry, particularly in cross-coupling reactions. The chloro and fluoro substituents suggest that this compound may exhibit unique reactivity and properties, such as increased lipophilicity or altered electronic characteristics, which can influence its behavior in biological systems or synthetic pathways. The ethyl ester group enhances its solubility in organic solvents, making it suitable for various chemical reactions and applications. This compound may be of interest in medicinal chemistry, materials science, or as a building block in organic synthesis. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the overall structure, which can be further explored through experimental studies or computational modeling.
Formula:C9H9BClFO4
InChI:InChI=1S/C9H9BClFO4/c1-2-16-9(13)5-3-6(10(14)15)8(12)4-7(5)11/h3-4,14-15H,2H2,1H3
InChI key:InChIKey=AFUHWELFZBBIMI-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(B(O)O)=C(F)C=C1Cl
Synonyms:
  • [4-Chloro-5-(ethoxycarbonyl)-2-fluorophenyl]boronic acid
  • Benzoic acid, 5-borono-2-chloro-4-fluoro-, 1-ethyl ester
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