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CAS 936728-22-2

:

3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

Description:
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is an organic compound characterized by its unique structure, which includes a benzoic acid moiety substituted with a fluorine atom and a dioxaborolane group. The presence of the fluorine atom enhances its reactivity and can influence its biological activity, making it a valuable compound in medicinal chemistry and material science. The dioxaborolane group contributes to its potential as a boron-containing compound, which can be useful in various applications, including drug development and organic synthesis. This compound is likely to exhibit moderate solubility in organic solvents and may have specific interactions with biological targets due to its functional groups. Additionally, its stability and reactivity can be influenced by environmental factors such as pH and temperature. Overall, 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid represents a versatile structure with potential applications in various fields of chemistry.
Formula:C13H16BFO4
InChI:InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)9-5-8(11(16)17)6-10(15)7-9/h5-7H,1-4H3,(H,16,17)
InChI key:InChIKey=NMYIHYHALOHVHV-UHFFFAOYSA-N
SMILES:CC1(C)OB(OC1(C)C)C2=CC(C(O)=O)=CC(F)=C2
Synonyms:
  • Benzoic acid, 3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 3-Carboxy-5-fluorophenylboronic acid pinacol ester
  • 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
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