ChemSpider 2D Image | 5-Bromo-2-(tetrahydro-2H-pyran-4-yloxy)benzonitrile | C12H12BrNO2

5-Bromo-2-(tetrahydro-2H-pyran-4-yloxy)benzonitrile

  • Molecular FormulaC12H12BrNO2
  • Average mass282.133 Da
  • Monoisotopic mass281.005127 Da
  • ChemSpider ID29362945

More details:

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

5-Brom-2-(tetrahydro-2H-pyran-4-yloxy)benzonitril [German] [ACD/IUPAC Name]
5-Bromo-2-((tetrahydro-2H-pyran-4-yl)oxy)benzonitrile
5-Bromo-2-(tetrahydro-2H-pyran-4-yloxy)benzonitrile [ACD/IUPAC Name]
5-Bromo-2-(tétrahydro-2H-pyran-4-yloxy)benzonitrile [French] [ACD/IUPAC Name]
876918-62-6 [RN]
Benzonitrile, 5-bromo-2-[(tetrahydro-2H-pyran-4-yl)oxy]- [ACD/Index Name]
5-bromo-2-(oxan-4-yloxy)benzonitrile
5-Bromo-2-(tetrahydro-pyran-4-yloxy)-benzonitrile
5-Bromo-2-[(oxan-4-yl)oxy]benzonitrile
Methyl 2,6-dibromoisonicotinate [ACD/IUPAC Name]
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 395.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.6±3.0 kJ/mol
    Flash Point: 193.0±27.9 °C
    Index of Refraction: 1.587
    Molar Refractivity: 63.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.56
    ACD/LogD (pH 5.5): 2.84
    ACD/BCF (pH 5.5): 84.13
    ACD/KOC (pH 5.5): 830.80
    ACD/LogD (pH 7.4): 2.84
    ACD/BCF (pH 7.4): 84.13
    ACD/KOC (pH 7.4): 830.80
    Polar Surface Area: 42 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 53.4±5.0 dyne/cm
    Molar Volume: 189.4±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement