ChemSpider 2D Image | 3-Nitro-4-[(4-phenoxyphenyl)amino]benzonitrile | C19H13N3O3

3-Nitro-4-[(4-phenoxyphenyl)amino]benzonitrile

  • Molecular FormulaC19H13N3O3
  • Average mass331.325 Da
  • Monoisotopic mass331.095703 Da
  • ChemSpider ID29204274

More details:

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

3-Nitro-4-[(4-phenoxyphenyl)amino]benzonitril [German] [ACD/IUPAC Name]
3-Nitro-4-[(4-phenoxyphenyl)amino]benzonitrile [ACD/IUPAC Name]
3-Nitro-4-[(4-phénoxyphényl)amino]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-nitro-4-[(4-phenoxyphenyl)amino]- [ACD/Index Name]
1417351-89-3 [RN]
3-Nitro-4-((4-phenoxyphenyl)amino)benzonitrile
3-nitro-4-(4-phenoxyanilino)benzonitrile
benzonitrile, 3-nitro-4-[(4-phenoxyphenyl)amino]
MFCD24849111 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 488.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.4±3.0 kJ/mol
    Flash Point: 249.0±28.7 °C
    Index of Refraction: 1.678
    Molar Refractivity: 92.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 5.14
    ACD/LogD (pH 5.5): 4.66
    ACD/BCF (pH 5.5): 2058.74
    ACD/KOC (pH 5.5): 8193.57
    ACD/LogD (pH 7.4): 4.66
    ACD/BCF (pH 7.4): 2058.74
    ACD/KOC (pH 7.4): 8193.57
    Polar Surface Area: 91 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 68.3±5.0 dyne/cm
    Molar Volume: 244.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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