ChemSpider 2D Image | 1-Phenyl-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid | C10H6F3N3O2

1-Phenyl-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC10H6F3N3O2
  • Average mass257.169 Da
  • Monoisotopic mass257.041199 Da
  • ChemSpider ID24804066

More details:

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

1221724-12-4 [RN]
1H-1,2,3-Triazole-4-carboxylic acid, 1-phenyl-5-(trifluoromethyl)- [ACD/Index Name]
1-Phenyl-5-(trifluormethyl)-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-Phenyl-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 1-phényl-5-(trifluorométhyl)-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
1-Phenyl-5-trifluoromethyl-1H-[1,2,3]triazole-4-carboxylic acid
MFCD15209644 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 411.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±3.0 kJ/mol
    Flash Point: 202.8±31.5 °C
    Index of Refraction: 1.585
    Molar Refractivity: 55.4±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.45
    ACD/LogD (pH 5.5): -0.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.25
    ACD/LogD (pH 7.4): -0.68
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 46.1±7.0 dyne/cm
    Molar Volume: 165.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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