ChemSpider 2D Image | 5-nitro-2-{[4-(1,2,4-triazol-1-ylmethyl)phenyl]amino}benzonitrile | C16H12N6O2

5-nitro-2-{[4-(1,2,4-triazol-1-ylmethyl)phenyl]amino}benzonitrile

  • Molecular FormulaC16H12N6O2
  • Average mass320.306 Da
  • Monoisotopic mass320.102173 Da
  • ChemSpider ID21804968

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

5-nitro-2-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}amino)benzonitrile
5-nitro-2-{[4-(1,2,4-triazol-1-ylmethyl)phenyl]amino}benzonitrile
5-Nitro-2-{[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}benzonitril [German] [ACD/IUPAC Name]
5-Nitro-2-{[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}benzonitrile [ACD/IUPAC Name]
5-Nitro-2-{[4-(1H-1,2,4-triazol-1-ylméthyl)phényl]amino}benzonitrile [French] [ACD/IUPAC Name]
945367-25-9 [RN]
Benzonitrile, 5-nitro-2-[[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino]- [ACD/Index Name]
2-((4-((1H-1,2,4-Triazol-1-yl)methyl)phenyl)amino)-5-nitrobenzonitrile
5-Nitro-2-([4-(1h-1,2,4-triazol-1-ylmethyl)phenyl]amino)benzonitrile
5-nitro-2-[4-(1,2,4-triazol-1-ylmethyl)anilino]benzonitrile
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD09455400 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 566.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.1±3.0 kJ/mol
    Flash Point: 296.6±32.9 °C
    Index of Refraction: 1.698
    Molar Refractivity: 89.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.20
    ACD/LogD (pH 5.5): 2.24
    ACD/BCF (pH 5.5): 29.53
    ACD/KOC (pH 5.5): 392.29
    ACD/LogD (pH 7.4): 2.24
    ACD/BCF (pH 7.4): 29.62
    ACD/KOC (pH 7.4): 393.54
    Polar Surface Area: 112 Å2
    Polarizability: 35.4±0.5 10-24cm3
    Surface Tension: 63.4±7.0 dyne/cm
    Molar Volume: 231.7±7.0 cm3

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