ChemSpider 2D Image | 4-Cyano-2-nitrobenzoic acid | C8H4N2O4

4-Cyano-2-nitrobenzoic acid

  • Molecular FormulaC8H4N2O4
  • Average mass192.128 Da
  • Monoisotopic mass192.017105 Da
  • ChemSpider ID32867957

More details:

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

4-Cyan-2-nitrobenzoesäure [German] [ACD/IUPAC Name]
4-Cyano-2-nitrobenzoic acid [ACD/IUPAC Name]
Acide 4-cyano-2-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-cyano-2-nitro- [ACD/Index Name]
4-Cyano-2-nitro-benzoic acid
64629-99-8 [RN]
MFCD11036375

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 389.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 67.4±3.0 kJ/mol
    Flash Point: 189.3±26.5 °C
    Index of Refraction: 1.628
    Molar Refractivity: 43.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.01
    ACD/LogD (pH 5.5): -1.63
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 107 Å2
    Polarizability: 17.3±0.5 10-24cm3
    Surface Tension: 82.5±5.0 dyne/cm
    Molar Volume: 123.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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