ChemSpider 2D Image | [2-(1,2,4-Oxadiazol-3-yl)-4-(trifluoromethyl)phenyl]boronic acid | C9H6BF3N2O3

[2-(1,2,4-Oxadiazol-3-yl)-4-(trifluoromethyl)phenyl]boronic acid

  • Molecular FormulaC9H6BF3N2O3
  • Average mass257.962 Da
  • Monoisotopic mass258.042358 Da
  • ChemSpider ID26235278

More details:

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

[2-(1,2,4-Oxadiazol-3-yl)-4-(trifluormethyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[2-(1,2,4-Oxadiazol-3-yl)-4-(trifluoromethyl)phenyl]boronic acid [ACD/IUPAC Name]
Acide [2-(1,2,4-oxadiazol-3-yl)-4-(trifluorométhyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-(1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)phenyl]- [ACD/Index Name]
4-(Trifluoromethyl)-2-(1,2,4-oxadiazol-3-yl)phenylboronic acid
MFCD16875632

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 402.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.0±3.0 kJ/mol
    Flash Point: 197.3±31.5 °C
    Index of Refraction: 1.524
    Molar Refractivity: 51.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): 1.90
    ACD/BCF (pH 5.5): 16.17
    ACD/KOC (pH 5.5): 253.48
    ACD/LogD (pH 7.4): 1.45
    ACD/BCF (pH 7.4): 5.81
    ACD/KOC (pH 7.4): 91.02
    Polar Surface Area: 79 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 53.9±5.0 dyne/cm
    Molar Volume: 166.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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