ChemSpider 2D Image | [3-(1,2,4-Oxadiazol-3-yl)-5-(trifluoromethyl)phenyl]boronic acid | C9H6BF3N2O3

[3-(1,2,4-Oxadiazol-3-yl)-5-(trifluoromethyl)phenyl]boronic acid

  • Molecular FormulaC9H6BF3N2O3
  • Average mass257.962 Da
  • Monoisotopic mass258.042358 Da
  • ChemSpider ID26235253

More details:

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

[3-(1,2,4-Oxadiazol-3-yl)-5-(trifluormethyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[3-(1,2,4-Oxadiazol-3-yl)-5-(trifluoromethyl)phenyl]boronic acid [ACD/IUPAC Name]
Acide [3-(1,2,4-oxadiazol-3-yl)-5-(trifluorométhyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[3-(1,2,4-oxadiazol-3-yl)-5-(trifluoromethyl)phenyl]- [ACD/Index Name]
2096332-31-7 [RN]
3-(Trifluoromethyl)-5-(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: 419.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.0±3.0 kJ/mol
    Flash Point: 207.7±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): 1.81
    ACD/BCF (pH 5.5): 13.36
    ACD/KOC (pH 5.5): 209.40
    ACD/LogD (pH 7.4): 0.61
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 13.01
    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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