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

2-Cyano-4-nitrobenzoic acid

  • Molecular FormulaC8H4N2O4
  • Average mass192.128 Da
  • Monoisotopic mass192.017105 Da
  • ChemSpider ID26550353

More details:

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

2-Cyan-4-nitrobenzoesäure [German] [ACD/IUPAC Name]
2-Cyano-4-nitrobenzoic acid [ACD/IUPAC Name]
Acide 2-cyano-4-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-cyano-4-nitro- [ACD/Index Name]
126388-92-9 [RN]
2-CYANO-4-NITROBENZOIC ACID|2-CYANO-4-NITROBENZOIC ACID
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3350663/
MFCD09999827

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 407.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.6±3.0 kJ/mol
    Flash Point: 200.4±27.3 °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: 0.88
    ACD/LogD (pH 5.5): -1.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.72
    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

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