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Search term: DAYJQFRBEKQYDR-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(2-Methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid | C10H9N3O2

1-(2-Methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC10H9N3O2
  • Average mass203.197 Da
  • Monoisotopic mass203.069473 Da
  • ChemSpider ID25832709

More details:

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

1-(2-Methylphenyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(2-Methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
1099631-80-7 [RN]
1H-1,2,3-Triazole-4-carboxylic acid, 1-(2-methylphenyl)- [ACD/Index Name]
Acide 1-(2-méthylphényl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
MFCD11650557

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 439.8±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.4±3.0 kJ/mol
    Flash Point: 219.8±29.3 °C
    Index of Refraction: 1.653
    Molar Refractivity: 55.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.94
    ACD/LogD (pH 5.5): -0.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.72
    ACD/LogD (pH 7.4): -1.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 21.8±0.5 10-24cm3
    Surface Tension: 54.2±7.0 dyne/cm
    Molar Volume: 150.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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