ChemSpider 2D Image | {4-Fluoro-3-[(3-fluorophenyl)(hydroxy)methyl]phenyl}boronic acid | C13H11BF2O3

{4-Fluoro-3-[(3-fluorophenyl)(hydroxy)methyl]phenyl}boronic acid

  • Molecular FormulaC13H11BF2O3
  • Average mass264.032 Da
  • Monoisotopic mass264.076935 Da
  • ChemSpider ID29355084

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{4-Fluor-3-[(3-fluorphenyl)(hydroxy)methyl]phenyl}borsäure [German] [ACD/IUPAC Name]
{4-Fluoro-3-[(3-fluorophenyl)(hydroxy)methyl]phenyl}boronic acid [ACD/IUPAC Name]
Acide {4-fluoro-3-[(3-fluorophényl)(hydroxy)méthyl]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-fluoro-3-[(3-fluorophenyl)hydroxymethyl]phenyl]- [ACD/Index Name]
(4-Fluoro-3-((3-fluorophenyl)(hydroxy)methyl)phenyl)boronic acid
2377587-48-7 [RN]
4-Fluoro-3-[(3-fluorophenyl)(hydroxy)methyl]phenylboronic acid
4-Fluoro-3-[(3-fluorophenyl)(hydroxy)methyl]phenylboronicacid
BB-4554
MFCD22383676

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 437.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±3.0 kJ/mol
    Flash Point: 218.2±31.5 °C
    Index of Refraction: 1.589
    Molar Refractivity: 64.4±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): 2.04
    ACD/BCF (pH 5.5): 20.77
    ACD/KOC (pH 5.5): 305.09
    ACD/LogD (pH 7.4): 2.00
    ACD/BCF (pH 7.4): 19.03
    ACD/KOC (pH 7.4): 279.59
    Polar Surface Area: 61 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 52.4±5.0 dyne/cm
    Molar Volume: 190.9±5.0 cm3

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