Cas no 874459-62-8 ([4-(ethoxycarbonyl)-2-fluorophenyl]boronic acid)

[4-(ethoxycarbonyl)-2-fluorophenyl]boronic acid structure
874459-62-8 structure
Product Name:[4-(ethoxycarbonyl)-2-fluorophenyl]boronic acid
CAS No:874459-62-8
MF:C9H10BFO4
MW:211.982706546783
MDL:MFCD08458482
CID:828004
PubChem ID:46736808
Update Time:2025-08-05

[4-(ethoxycarbonyl)-2-fluorophenyl]boronic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-4-ethoxycarbonylphenylboronic acid
    • (4-ethoxycarbonyl-2-fluorophenyl)boronic acid
    • (4-ethoxycarbonyl-2-fluoro-phenyl)boronic acid
    • 4-(ETHOXYCARBONYL)-2-FLUOROPHENYLBORONIC ACID
    • [4-(ethoxycarbonyl)-2-fluorophenyl]boronic acid
    • BS-24025
    • MFCD08458482
    • 2-FLUORO-4-ETHOXYCARBONYLPHENYLBORONICACID
    • (4-(ethoxycarbonyl)-2-fluorophenyl)boronic acid
    • DB-010427
    • CS-0174622
    • 874459-62-8
    • I12360
    • AKOS015838821
    • SCHEMBL1358090
    • DTXSID10673885
    • MDL: MFCD08458482
    • Inchi: 1S/C9H10BFO4/c1-2-15-9(12)6-3-4-7(10(13)14)8(11)5-6/h3-5,13-14H,2H2,1H3
    • InChI Key: HBXIRLABZXFDAX-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(F)C(B(O)O)=CC=1)OCC

Computed Properties

  • Exact Mass: 212.06600
  • Monoisotopic Mass: 212.0656171g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 224
  • 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: 66.8?2

Experimental Properties

  • PSA: 66.76000
  • LogP: -0.31780

[4-(ethoxycarbonyl)-2-fluorophenyl]boronic acid Security Information

  • HazardClass:IRRITANT

[4-(ethoxycarbonyl)-2-fluorophenyl]boronic acid Pricemore >>

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