ChemSpider 2D Image | 3-Bromo-4-cyanobenzoic acid | C8H4BrNO2

3-Bromo-4-cyanobenzoic acid

  • Molecular FormulaC8H4BrNO2
  • Average mass226.027 Da
  • Monoisotopic mass224.942535 Da
  • ChemSpider ID26556125

More details:

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

3-Brom-4-cyanbenzoesäure [German] [ACD/IUPAC Name]
3-Bromo-4-cyanobenzoic acid [ACD/IUPAC Name]
581213-69-6 [RN]
Acide 3-bromo-4-cyanobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-cyano- [ACD/Index Name]
MFCD09261042 [MDL number]
[581213-69-6] [RN]
1-oxo-2H-pyridin-1-ium-3-carbonitrile;3-Cyanopyridine-N-oxide
3-Bromo-4-cyanobenzoic Acid?
3-Bromo-4-cyanobenzoicAcid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 404.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.1±3.0 kJ/mol
    Flash Point: 198.2±27.3 °C
    Index of Refraction: 1.651
    Molar Refractivity: 45.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.18
    ACD/LogD (pH 5.5): 0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.79
    ACD/LogD (pH 7.4): -0.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 61 Å2
    Polarizability: 18.0±0.5 10-24cm3
    Surface Tension: 74.5±5.0 dyne/cm
    Molar Volume: 124.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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