ChemSpider 2D Image | 2-Chloro-4-(1H-pyrazol-3-yl)benzonitrile | C10H6ClN3

2-Chloro-4-(1H-pyrazol-3-yl)benzonitrile

  • Molecular FormulaC10H6ClN3
  • Average mass203.628 Da
  • Monoisotopic mass203.025024 Da
  • ChemSpider ID57421273

More details:

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

1297537-37-1 [RN]
23068807 [Beilstein]
2-Chlor-4-(1H-pyrazol-5-yl)benzonitril [German] [ACD/IUPAC Name]
2-Chloro-4-(1H-pyrazol-3-yl)benzonitrile [ACD/IUPAC Name]
2-Chloro-4-(1H-pyrazol-5-yl)benzonitrile [ACD/IUPAC Name]
2-Chloro-4-(1H-pyrazol-5-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-chloro-4-(1H-pyrazol-3-yl)- [ACD/Index Name]
Benzonitrile, 2-chloro-4-(1H-pyrazol-5-yl)- [ACD/Index Name]
T5MNJ CR CG DCN [WLN]
T5MNJ ER CG DCN [WLN]
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 459.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.9±3.0 kJ/mol
    Flash Point: 231.4±25.9 °C
    Index of Refraction: 1.651
    Molar Refractivity: 52.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): 2.42
    ACD/BCF (pH 5.5): 40.64
    ACD/KOC (pH 5.5): 493.48
    ACD/LogD (pH 7.4): 2.42
    ACD/BCF (pH 7.4): 40.64
    ACD/KOC (pH 7.4): 493.50
    Polar Surface Area: 52 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 71.9±5.0 dyne/cm
    Molar Volume: 143.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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