ChemSpider 2D Image | 3-Nitrobenzoic-d4 Acid | C7HD4NO4

3-Nitrobenzoic-d4 Acid

  • Molecular FormulaC7HD4NO4
  • Average mass171.143 Da
  • Monoisotopic mass171.046967 Da
  • ChemSpider ID24532201

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Nitro(2H4)benzoesäure [German] [ACD/IUPAC Name]
3-Nitro(2H4)benzoic acid [ACD/IUPAC Name]
3-Nitrobenzoic-d4 Acid
78399-78-7 [RN]
Acide 3-nitro(2H4)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,3,4,6-d4 acid, 5-nitro- [ACD/Index Name]
2,3,4,6-tetradeuterio-5-nitrobenzoic acid
MFCD08704954
m-Nitrobenzoic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 340.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.7±3.0 kJ/mol
    Flash Point: 157.5±11.6 °C
    Index of Refraction: 1.615
    Molar Refractivity: 39.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.82
    ACD/LogD (pH 5.5): -0.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.47
    ACD/LogD (pH 7.4): -1.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 15.8±0.5 10-24cm3
    Surface Tension: 66.4±3.0 dyne/cm
    Molar Volume: 113.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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