ChemSpider 2D Image | 5-hydroxy-2-(trifluoromethoxy)phenylboronic acid | C7H6BF3O4

5-hydroxy-2-(trifluoromethoxy)phenylboronic acid

  • Molecular FormulaC7H6BF3O4
  • Average mass221.926 Da
  • Monoisotopic mass222.031128 Da
  • ChemSpider ID26541279

More details:

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

[5-Hydroxy-2-(trifluormethoxy)phenyl]borsäure [German] [ACD/IUPAC Name]
[5-Hydroxy-2-(trifluoromethoxy)phenyl]boronic acid [ACD/IUPAC Name]
1217500-69-0 [RN]
5-hydroxy-2-(trifluoromethoxy)phenylboronic acid
Acide [5-hydroxy-2-(trifluorométhoxy)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[5-hydroxy-2-(trifluoromethoxy)phenyl]- [ACD/Index Name]
(5-Hydroxy-2-(trifluoromethoxy)phenyl)boronic acid
[1217500-69-0] [RN]
5-hydroxy-2-(trifluoromethoxy)phenylboronicacid
98%
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 364.0±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.4±3.0 kJ/mol
    Flash Point: 174.0±30.7 °C
    Index of Refraction: 1.494
    Molar Refractivity: 41.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.72
    ACD/LogD (pH 5.5): 1.50
    ACD/BCF (pH 5.5): 8.13
    ACD/KOC (pH 5.5): 155.82
    ACD/LogD (pH 7.4): 1.42
    ACD/BCF (pH 7.4): 6.70
    ACD/KOC (pH 7.4): 128.49
    Polar Surface Area: 70 Å2
    Polarizability: 16.5±0.5 10-24cm3
    Surface Tension: 44.8±5.0 dyne/cm
    Molar Volume: 142.7±5.0 cm3

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