ChemSpider 2D Image | 5-Bromo-2-cyanobenzoic acid | C8H4BrNO2

5-Bromo-2-cyanobenzoic acid

  • Molecular FormulaC8H4BrNO2
  • Average mass226.027 Da
  • Monoisotopic mass224.942535 Da
  • ChemSpider ID14605370

More details:

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

1032231-28-9 [RN]
5-Brom-2-cyanbenzoesäure [German] [ACD/IUPAC Name]
5-Bromo-2-cyanobenzoic acid [ACD/IUPAC Name]
Acide 5-bromo-2-cyanobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-cyano- [ACD/Index Name]
[1032231-28-9] [RN]
126674-77-9 [RN]
2-(4-Methoxy-3-methylphenyl)-5-(3-methoxyphenyl)thiophene [ACD/IUPAC Name]
5-bromo-2-cyano-benzoic acid
5-BROMO-2-CYANOBENZOIC ACID|5-BROMO-2-CYANOBENZOIC ACID
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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: 379.1±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.1±3.0 kJ/mol
    Flash Point: 183.1±25.1 °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: 1.91
    ACD/LogD (pH 5.5): -0.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.93
    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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