ChemSpider 2D Image | 3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)benzoic acid | C11H9FN2O2

3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)benzoic acid

  • Molecular FormulaC11H9FN2O2
  • Average mass220.200 Da
  • Monoisotopic mass220.064804 Da
  • ChemSpider ID29211870

More details:

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

1243205-04-0 [RN]
3-Fluor-4-(4-methyl-1H-imidazol-1-yl)benzoesäure [German] [ACD/IUPAC Name]
3-Fluoro-4-(4-methyl-1H-imidazol-1-yl)benzoic acid [ACD/IUPAC Name]
Acide 3-fluoro-4-(4-méthyl-1H-imidazol-1-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-fluoro-4-(4-methyl-1H-imidazol-1-yl)- [ACD/Index Name]
3-FLUORO-4-(4-METHYLIMIDAZOL-1-YL)BENZOIC ACID
CS-13493
MFCD15529611

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 411.3±40.0 °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: 202.6±27.3 °C
    Index of Refraction: 1.602
    Molar Refractivity: 56.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): 0.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.45
    ACD/LogD (pH 7.4): -0.80
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 45.2±7.0 dyne/cm
    Molar Volume: 164.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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