ChemSpider 2D Image | 3-Bromo-5-methoxybenzonitrile | C8H6BrNO

3-Bromo-5-methoxybenzonitrile

  • Molecular FormulaC8H6BrNO
  • Average mass212.043 Da
  • Monoisotopic mass210.963272 Da
  • ChemSpider ID21429371

More details:

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

3-Brom-5-methoxybenzonitril [German] [ACD/IUPAC Name]
3-Bromo-5-methoxybenzonitrile [ACD/IUPAC Name]
3-Bromo-5-méthoxybenzonitrile [French] [ACD/IUPAC Name]
867366-91-4 [RN]
Benzonitrile, 3-bromo-5-methoxy- [ACD/Index Name]
[867366-91-4] [RN]
167316-27-0 [RN]
3-Bromo-5-cyanoanisole
3-Bromo-5-cyanoanisole, 5-Bromo-m-anisonitrile
3-Bromo-5-cyanoanisole; 5-Bromo-m-anisonitrile
More...

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

CCRIS 4693 [DBID]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 253.5±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.1±3.0 kJ/mol
    Flash Point: 107.1±23.2 °C
    Index of Refraction: 1.584
    Molar Refractivity: 45.4±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.05
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 70.32
    ACD/KOC (pH 5.5): 730.73
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 70.32
    ACD/KOC (pH 7.4): 730.73
    Polar Surface Area: 33 Å2
    Polarizability: 18.0±0.5 10-24cm3
    Surface Tension: 51.1±5.0 dyne/cm
    Molar Volume: 135.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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