ChemSpider 2D Image | (5-Fluoro-2-((3-fluorobenzyl)oxy)phenyl)boronic acid | C13H11BF2O3

(5-Fluoro-2-((3-fluorobenzyl)oxy)phenyl)boronic acid

  • Molecular FormulaC13H11BF2O3
  • Average mass264.032 Da
  • Monoisotopic mass264.076935 Da
  • ChemSpider ID26541184

More details:

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

(5-Fluoro-2-((3-fluorobenzyl)oxy)phenyl)boronic acid
{5-Fluor-2-[(3-fluorbenzyl)oxy]phenyl}borsäure [German] [ACD/IUPAC Name]
{5-Fluoro-2-[(3-fluorobenzyl)oxy]phenyl}boronic acid [ACD/IUPAC Name]
1256358-53-8 [RN]
Acide {5-fluoro-2-[(3-fluorobenzyl)oxy]phényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]- [ACD/Index Name]
(2-((4-Chlorobenzyl)oxy)-5-fluorophenyl)boronic acid
[1256358-53-8] [RN]
{5-Fluoro-2-[(3-fluorophenyl)methoxy]phenyl}boronic acid
1256358-54-9 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 439.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.4±3.0 kJ/mol
    Flash Point: 219.5±31.5 °C
    Index of Refraction: 1.563
    Molar Refractivity: 64.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.34
    ACD/LogD (pH 5.5): 2.93
    ACD/BCF (pH 5.5): 99.32
    ACD/KOC (pH 5.5): 932.90
    ACD/LogD (pH 7.4): 2.68
    ACD/BCF (pH 7.4): 55.49
    ACD/KOC (pH 7.4): 521.24
    Polar Surface Area: 50 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 46.2±5.0 dyne/cm
    Molar Volume: 199.0±5.0 cm3

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