ChemSpider 2D Image | 1-[3-(Trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid | C10H6F3N3O2

1-[3-(Trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid

  • Molecular FormulaC10H6F3N3O2
  • Average mass257.169 Da
  • Monoisotopic mass257.041199 Da
  • ChemSpider ID25933074

More details:

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

1-[3-(Trifluormethyl)phenyl]-1H-1,2,3-triazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-[3-(Trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid [ACD/IUPAC Name]
113934-33-1 [RN]
1H-1,2,3-Triazole-4-carboxylic acid, 1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
Acide 1-[3-(trifluorométhyl)phényl]-1H-1,2,3-triazole-4-carboxylique [French] [ACD/IUPAC Name]
MFCD10696377

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 420.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.1±3.0 kJ/mol
    Flash Point: 208.3±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: 2.05
    ACD/LogD (pH 5.5): 0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.46
    ACD/LogD (pH 7.4): -0.73
    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

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