ChemSpider 2D Image | 1-(3,4-Dimethylphenyl)-5-(2-pyridinyl)-1H-1,2,3-triazole-4-carboxylic acid | C16H14N4O2

1-(3,4-Dimethylphenyl)-5-(2-pyridinyl)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC16H14N4O2
  • Average mass294.308 Da
  • Monoisotopic mass294.111664 Da
  • ChemSpider ID27313507

More details:

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

1-(3,4-Dimethylphenyl)-5-(2-pyridinyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(3,4-Dimethylphenyl)-5-(2-pyridinyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1-(3,4-dimethylphenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
1351778-37-4 [RN]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(3,4-dimethylphenyl)-5-(2-pyridinyl)- [ACD/Index Name]
Acide 1-(3,4-diméthylphényl)-5-(2-pyridinyl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
[1351778-37-4] [RN]
1-(3,4-Dimethyl-phenyl)-5-pyridin-2-yl-1H-[1,2,3]triazole-4-carboxylic acid
1-(3,4-dimethylphenyl)-5-pyridin-2-yl-1H-1,2,3-triazole-4-carboxylic acid
1-(3,4-dimethylphenyl)-5-pyridin-2-yltriazole-4-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 527.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±3.0 kJ/mol
    Flash Point: 273.1±32.9 °C
    Index of Refraction: 1.670
    Molar Refractivity: 83.1±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.15
    ACD/LogD (pH 5.5): 0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.33
    ACD/LogD (pH 7.4): -0.84
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 81 Å2
    Polarizability: 32.9±0.5 10-24cm3
    Surface Tension: 52.1±7.0 dyne/cm
    Molar Volume: 222.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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