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Search term: SLUXNCGTILXMDY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(3-Chlorophenyl)-2H-1,2,3-triazole-4-carbonitrile | C9H5ClN4

2-(3-Chlorophenyl)-2H-1,2,3-triazole-4-carbonitrile

  • Molecular FormulaC9H5ClN4
  • Average mass204.616 Da
  • Monoisotopic mass204.020279 Da
  • ChemSpider ID35502678

More details:

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

1263215-33-3 [RN]
2-(3-Chlorophenyl)-2H-1,2,3-triazole-4-carbonitrile [ACD/IUPAC Name]
2-(3-Chlorophényl)-2H-1,2,3-triazole-4-carbonitrile [French] [ACD/IUPAC Name]
2-(3-Chlorphenyl)-2H-1,2,3-triazol-4-carbonitril [German] [ACD/IUPAC Name]
2H-1,2,3-Triazole-4-carbonitrile, 2-(3-chlorophenyl)- [ACD/Index Name]
2-(3-Chloro-phenyl)-2H-[1,2,3]triazole-4-carbonitrile
2-(3-chlorophenyl)triazole-4-carbonitrile
MFCD18324815

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 408.1±51.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.0±3.0 kJ/mol
    Flash Point: 200.6±30.4 °C
    Index of Refraction: 1.681
    Molar Refractivity: 55.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.83
    ACD/LogD (pH 5.5): 1.88
    ACD/BCF (pH 5.5): 15.66
    ACD/KOC (pH 5.5): 249.39
    ACD/LogD (pH 7.4): 1.88
    ACD/BCF (pH 7.4): 15.66
    ACD/KOC (pH 7.4): 249.39
    Polar Surface Area: 55 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 56.3±7.0 dyne/cm
    Molar Volume: 146.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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