ChemSpider 2D Image | 2-[4-(4-Chlorophenyl)-1-piperazinyl]-5-nitrobenzonitrile | C17H15ClN4O2

2-[4-(4-Chlorophenyl)-1-piperazinyl]-5-nitrobenzonitrile

  • Molecular FormulaC17H15ClN4O2
  • Average mass342.780 Da
  • Monoisotopic mass342.088348 Da
  • ChemSpider ID21804971

More details:

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

2-[4-(4-Chlorophenyl)-1-piperazinyl]-5-nitrobenzonitrile [ACD/IUPAC Name]
2-[4-(4-Chlorophényl)-1-pipérazinyl]-5-nitrobenzonitrile [French] [ACD/IUPAC Name]
2-[4-(4-Chlorophenyl)piperazin-1-yl]-5-nitrobenzonitrile
2-[4-(4-Chlorphenyl)-1-piperazinyl]-5-nitrobenzonitril [German] [ACD/IUPAC Name]
945367-66-8 [RN]
Benzonitrile, 2-[4-(4-chlorophenyl)-1-piperazinyl]-5-nitro- [ACD/Index Name]
2-(4-(4-Chlorophenyl)piperazin-1-yl)-5-nitrobenzonitrile

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

MFCD09455434 [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: 562.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.6±3.0 kJ/mol
    Flash Point: 294.2±30.1 °C
    Index of Refraction: 1.677
    Molar Refractivity: 91.1±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.74
    ACD/LogD (pH 5.5): 3.78
    ACD/BCF (pH 5.5): 430.25
    ACD/KOC (pH 5.5): 2605.49
    ACD/LogD (pH 7.4): 3.82
    ACD/BCF (pH 7.4): 469.54
    ACD/KOC (pH 7.4): 2843.45
    Polar Surface Area: 76 Å2
    Polarizability: 36.1±0.5 10-24cm3
    Surface Tension: 71.2±5.0 dyne/cm
    Molar Volume: 241.9±5.0 cm3

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