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CAS 871329-81-6

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Benzoic acid, 2-borono-5-fluoro-, 1-methyl ester

Description:
Benzoic acid, 2-borono-5-fluoro-, 1-methyl ester, identified by the CAS number 871329-81-6, is an organic compound characterized by the presence of a benzoic acid moiety modified with a boron and fluorine substituent. This compound features a methyl ester functional group, which enhances its solubility in organic solvents and may influence its reactivity. The boron atom typically contributes to unique coordination chemistry, potentially allowing for applications in catalysis or as a building block in organic synthesis. The fluorine atom can impart distinctive electronic properties, affecting the compound's reactivity and interaction with biological systems. Overall, this compound may exhibit interesting characteristics such as moderate polarity, potential for hydrogen bonding, and reactivity due to the presence of both the boron and fluorine substituents, making it a candidate for various chemical applications, including pharmaceuticals and agrochemicals. Its specific properties, such as melting point, boiling point, and solubility, would need to be determined through experimental data.
Formula:C8H8BFO4
InChI:InChI=1/C8H8BFO4/c1-14-8(11)6-4-5(10)2-3-7(6)9(12)13/h2-4,12-13H,1H3
InChI key:InChIKey=OYUDJHNYSVXVNK-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(B(O)O)C=CC(F)=C1
Synonyms:
  • (4-Fluoro-2-methoxycarbonylphenyl)boronic acid
  • (4-Fluoro-2-methoxycarbonylphenyl)boronicacid
  • Benzoic acid, 2-borono-5-fluoro-, 1-methyl ester
  • [4-Fluoro-2-(methoxycarbonyl)phenyl]boronic acid
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