ChemSpider 2D Image | 1-(2-Aminophenyl)-5-chloro-1H-pyrazole-4-carbonitrile | C10H7ClN4

1-(2-Aminophenyl)-5-chloro-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC10H7ClN4
  • Average mass218.642 Da
  • Monoisotopic mass218.035919 Da
  • ChemSpider ID24746040

More details:

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

1-(2-Aminophenyl)-5-chlor-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
1-(2-Aminophenyl)-5-chloro-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
1-(2-Aminophényl)-5-chloro-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
1269291-00-0 [RN]
1H-Pyrazole-4-carbonitrile, 1-(2-aminophenyl)-5-chloro- [ACD/Index Name]
1-(2-aminophenyl)-5-chloropyrazole-4-carbonitrile
MFCD17168522

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

CCRIS 4693 [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: 427.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.3±3.0 kJ/mol
    Flash Point: 212.6±24.6 °C
    Index of Refraction: 1.686
    Molar Refractivity: 59.0±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.06
    ACD/LogD (pH 5.5): 1.83
    ACD/BCF (pH 5.5): 14.54
    ACD/KOC (pH 5.5): 236.50
    ACD/LogD (pH 7.4): 1.83
    ACD/BCF (pH 7.4): 14.54
    ACD/KOC (pH 7.4): 236.50
    Polar Surface Area: 68 Å2
    Polarizability: 23.4±0.5 10-24cm3
    Surface Tension: 58.2±7.0 dyne/cm
    Molar Volume: 154.9±7.0 cm3

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