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

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

  • Molecular FormulaC9H6BF3N2O3
  • Average mass257.962 Da
  • Monoisotopic mass258.042358 Da
  • ChemSpider ID26235267

More details:

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

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

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 398.8±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.5±3.0 kJ/mol
    Flash Point: 195.0±30.7 °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: 2.05
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 15.04
    ACD/KOC (pH 5.5): 239.23
    ACD/LogD (pH 7.4): 1.21
    ACD/BCF (pH 7.4): 3.40
    ACD/KOC (pH 7.4): 54.15
    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


    Advertisement