Cas no 1218993-03-3 ((2-cyano-3-fluorophenyl)boronic acid)

(2-Cyano-3-fluorophenyl)boronic acid is a versatile boronic acid derivative commonly employed in Suzuki-Miyaura cross-coupling reactions, a pivotal method for forming carbon-carbon bonds in synthetic organic chemistry. The presence of both cyano and fluoro substituents on the phenyl ring enhances its reactivity and selectivity, making it valuable for constructing complex aromatic frameworks in pharmaceuticals and agrochemicals. Its stability under typical reaction conditions and compatibility with various functional groups contribute to its utility in medicinal chemistry and materials science. The compound is typically handled under inert conditions due to boronic acid sensitivity to moisture. Proper storage and handling ensure consistent performance in palladium-catalyzed transformations.
(2-cyano-3-fluorophenyl)boronic acid structure
1218993-03-3 structure
Product Name:(2-cyano-3-fluorophenyl)boronic acid
CAS No:1218993-03-3
MF:C7H5BFNO2
MW:164.929505109787
CID:2617802
PubChem ID:55263667
Update Time:2025-10-19

(2-cyano-3-fluorophenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (2-cyano-3-fluorophenyl)boronic acid
    • SCHEMBL4966189
    • (2-cyano-3-fluorophenyl)boronicacid
    • AB57885
    • MFCD10696669
    • AT15367
    • 2-CYANO-3-FLUOROPHENYLBORONIC ACID
    • EN300-177649
    • AKOS006304828
    • SJGAIKIHINNTDX-UHFFFAOYSA-N
    • CS-0087091
    • 1218993-03-3
    • Inchi： 1S/C7H5BFNO2/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-3,11-12H
    • InChI Key： SJGAIKIHINNTDX-UHFFFAOYSA-N
    • SMILES： FC1=CC=CC(B(O)O)=C1C#N

Computed Properties

  • Exact Mass: 165.0397367g/mol
  • Monoisotopic Mass: 165.0397367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 203
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 64.2?2

(2-cyano-3-fluorophenyl)boronic acid Pricemore >>

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abcr
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