ChemSpider 2D Image | Ethyl 4-(1H-1,2,4-triazol-1-yl)benzoate | C11H11N3O2

Ethyl 4-(1H-1,2,4-triazol-1-yl)benzoate

  • Molecular FormulaC11H11N3O2
  • Average mass217.224 Da
  • Monoisotopic mass217.085129 Da
  • ChemSpider ID13498068

More details:

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

143426-48-6 [RN]
4-(1H-1,2,4-Triazol-1-yl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(1H-1,2,4-triazol-1-yl)-, ethyl ester [ACD/Index Name]
Ethyl 4-(1H-1,2,4-triazol-1-yl)benzoate [ACD/IUPAC Name]
Ethyl-4-(1H-1,2,4-triazol-1-yl)benzoat [German] [ACD/IUPAC Name]
[143426-48-6] [RN]
Benzoic acid,4-(1H-1,2,4-triazol-1-yl)-, ethyl ester
DS-17519
Ethyl 4-(1,2,4-Triazol-1-yl)benzoate
Furo[3,2-d]pyrimidine-2,4-diol [ACD/Index Name] [ACD/IUPAC Name]
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 378.5±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.6±3.0 kJ/mol
    Flash Point: 182.7±28.4 °C
    Index of Refraction: 1.601
    Molar Refractivity: 60.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.84
    ACD/LogD (pH 5.5): 1.49
    ACD/BCF (pH 5.5): 8.00
    ACD/KOC (pH 5.5): 154.16
    ACD/LogD (pH 7.4): 1.49
    ACD/BCF (pH 7.4): 8.00
    ACD/KOC (pH 7.4): 154.21
    Polar Surface Area: 57 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 47.0±7.0 dyne/cm
    Molar Volume: 175.8±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement