ChemSpider 2D Image | 6-(Trifluoromethyl)benzo[d]oxazole | C8H4F3NO

6-(Trifluoromethyl)benzo[d]oxazole

  • Molecular FormulaC8H4F3NO
  • Average mass187.119 Da
  • Monoisotopic mass187.024506 Da
  • ChemSpider ID27474524

More details:

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

1300106-03-9 [RN]
6-(Trifluormethyl)-1,3-benzoxazol [German] [ACD/IUPAC Name]
6-(Trifluoromethyl)-1,3-benzoxazole [ACD/IUPAC Name]
6-(Trifluorométhyl)-1,3-benzoxazole [French] [ACD/IUPAC Name]
6-(Trifluoromethyl)benzo[d]oxazole
Benzoxazole, 6-(trifluoromethyl)- [ACD/Index Name]
[1300106-03-9] [RN]
MFCD20526342 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 195.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.6±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 41.4±3.0 kJ/mol
    Flash Point: 72.1±25.9 °C
    Index of Refraction: 1.505
    Molar Refractivity: 39.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.16
    ACD/LogD (pH 5.5): 2.45
    ACD/BCF (pH 5.5): 43.17
    ACD/KOC (pH 5.5): 515.32
    ACD/LogD (pH 7.4): 2.45
    ACD/BCF (pH 7.4): 43.17
    ACD/KOC (pH 7.4): 515.32
    Polar Surface Area: 26 Å2
    Polarizability: 15.6±0.5 10-24cm3
    Surface Tension: 32.0±3.0 dyne/cm
    Molar Volume: 133.1±3.0 cm3

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