ChemSpider 2D Image | Methyl 3-(trifluoromethyl)-1,2-benzoxazole-5-carboxylate | C10H6F3NO3

Methyl 3-(trifluoromethyl)-1,2-benzoxazole-5-carboxylate

  • Molecular FormulaC10H6F3NO3
  • Average mass245.155 Da
  • Monoisotopic mass245.029984 Da
  • ChemSpider ID29361141

More details:

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

1,2-Benzisoxazole-5-carboxylic acid, 3-(trifluoromethyl)-, methyl ester [ACD/Index Name]
3-(Trifluorométhyl)-1,2-benzoxazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(trifluoromethyl)-1,2-benzoxazole-5-carboxylate [ACD/IUPAC Name]
Methyl-3-(trifluormethyl)-1,2-benzoxazol-5-carboxylat [German] [ACD/IUPAC Name]
1260649-99-7 [RN]
3-(Trifluoromethyl)benzo[d]isoxazole-5-carboxylic acid methyl ester
3-Trifluoromethyl-benzo[d]isoxazole-5-carboxylic acid methyl ester
3-trifluoromethyl-benzodisoxazole-5-carboxylic acid methyl ester
methyl 3-(trifluoromethyl)benzo[d]isoxazole-5-carboxylate
MFCD16036675 [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: 299.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.0±3.0 kJ/mol
    Flash Point: 135.2±25.9 °C
    Index of Refraction: 1.511
    Molar Refractivity: 51.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.18
    ACD/LogD (pH 5.5): 2.89
    ACD/BCF (pH 5.5): 91.93
    ACD/KOC (pH 5.5): 885.21
    ACD/LogD (pH 7.4): 2.89
    ACD/BCF (pH 7.4): 91.93
    ACD/KOC (pH 7.4): 885.21
    Polar Surface Area: 52 Å2
    Polarizability: 20.3±0.5 10-24cm3
    Surface Tension: 36.9±3.0 dyne/cm
    Molar Volume: 171.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement