ChemSpider 2D Image | 2-Chloro-6-(trifluoromethyl)benzo[d]oxazole | C8H3ClF3NO

2-Chloro-6-(trifluoromethyl)benzo[d]oxazole

  • Molecular FormulaC8H3ClF3NO
  • Average mass221.564 Da
  • Monoisotopic mass220.985519 Da
  • ChemSpider ID31023823

More details:

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

1248393-79-4 [RN]
2-Chlor-6-(trifluormethyl)-1,3-benzoxazol [German] [ACD/IUPAC Name]
2-Chloro-6-(trifluoromethyl)-1,3-benzoxazole [ACD/IUPAC Name]
2-Chloro-6-(trifluorométhyl)-1,3-benzoxazole [French] [ACD/IUPAC Name]
2-Chloro-6-(trifluoromethyl)benzo[d]oxazole
Benzoxazole, 2-chloro-6-(trifluoromethyl)- [ACD/Index Name]
DK-0710
MFCD18250485 [MDL number]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 215.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 43.3±3.0 kJ/mol
    Flash Point: 83.9±25.9 °C
    Index of Refraction: 1.524
    Molar Refractivity: 44.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 3.00
    ACD/BCF (pH 5.5): 111.40
    ACD/KOC (pH 5.5): 1015.72
    ACD/LogD (pH 7.4): 3.00
    ACD/BCF (pH 7.4): 111.40
    ACD/KOC (pH 7.4): 1015.72
    Polar Surface Area: 26 Å2
    Polarizability: 17.6±0.5 10-24cm3
    Surface Tension: 34.8±3.0 dyne/cm
    Molar Volume: 145.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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