ChemSpider 2D Image | 4-[2-(4-Fluorophenyl)-7-oxo-6,7,8,9-tetrahydro-2H-[1,2,3]triazolo[4,5-f]quinolin-9-yl]benzoic acid | C22H15FN4O3

4-[2-(4-Fluorophenyl)-7-oxo-6,7,8,9-tetrahydro-2H-[1,2,3]triazolo[4,5-f]quinolin-9-yl]benzoic acid

  • Molecular FormulaC22H15FN4O3
  • Average mass402.378 Da
  • Monoisotopic mass402.112823 Da
  • ChemSpider ID32079963

More details:

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

4-[2-(4-Fluorophenyl)-7-oxo-6,7,8,9-tetrahydro-2H-[1,2,3]triazolo[4,5-f]quinolin-9-yl]benzoic acid [ACD/IUPAC Name]
4-[2-(4-Fluorphenyl)-7-oxo-6,7,8,9-tetrahydro-2H-[1,2,3]triazolo[4,5-f]chinolin-9-yl]benzoesäure [German] [ACD/IUPAC Name]
Acide 4-[2-(4-fluorophényl)-7-oxo-6,7,8,9-tétrahydro-2H-[1,2,3]triazolo[4,5-f]quinoléin-9-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-(4-fluorophenyl)-6,7,8,9-tetrahydro-7-oxo-2H-1,2,3-triazolo[4,5-f]quinolin-9-yl]- [ACD/Index Name]
1574405-34-7 [RN]
4-(2-(4-fluorophenyl)-7-oxo-6,7,8,9-tetrahydro-2H-[1,2,3]triazolo[4,5-f]quinolin-9-yl)benzoic acid

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 668.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 103.2±3.0 kJ/mol
    Flash Point: 358.0±34.3 °C
    Index of Refraction: 1.744
    Molar Refractivity: 106.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.07
    ACD/LogD (pH 5.5): 2.29
    ACD/BCF (pH 5.5): 14.96
    ACD/KOC (pH 5.5): 97.80
    ACD/LogD (pH 7.4): 0.39
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.25
    Polar Surface Area: 101 Å2
    Polarizability: 42.3±0.5 10-24cm3
    Surface Tension: 62.2±7.0 dyne/cm
    Molar Volume: 263.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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