ChemSpider 2D Image | 2-(3-Bromophenyl)-4,4,4-trifluoro-3-oxobutanenitrile | C10H5BrF3NO

2-(3-Bromophenyl)-4,4,4-trifluoro-3-oxobutanenitrile

  • Molecular FormulaC10H5BrF3NO
  • Average mass292.052 Da
  • Monoisotopic mass290.950653 Da
  • ChemSpider ID26546620

More details:

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

2-(3-Bromophenyl)-4,4,4-trifluoro-3-oxobutanenitrile [ACD/IUPAC Name]
2-(3-Bromophényl)-4,4,4-trifluoro-3-oxobutanenitrile [French] [ACD/IUPAC Name]
2-(3-Bromphenyl)-4,4,4-trifluor-3-oxobutannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, 3-bromo-α-(2,2,2-trifluoroacetyl)- [ACD/Index Name]
[954238-40-5] [RN]
2-(3-Bromophenyl)-4,4,4-trifluoro-3-oxobutyronitrile
2-(3-Bromo-phenyl)-4,4,4-trifluoro-3-oxo-butyronitrile
954238-40-5 [RN]
MFCD09878883 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 278.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.7±3.0 kJ/mol
    Flash Point: 122.4±25.9 °C
    Index of Refraction: 1.505
    Molar Refractivity: 53.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.25
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 41 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 39.7±3.0 dyne/cm
    Molar Volume: 179.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement