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Search term: ZQOCDOFDUXPNGM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid | C12H9F3N2O2

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid

  • Molecular FormulaC12H9F3N2O2
  • Average mass270.207 Da
  • Monoisotopic mass270.061615 Da
  • ChemSpider ID24599277

More details:

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

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluormethyl)benzoesäure [German] [ACD/IUPAC Name]
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid [ACD/IUPAC Name]
641571-13-3 [RN]
Acide 3-(4-méthyl-1H-imidazol-1-yl)-5-(trifluorométhyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)- [ACD/Index Name]
T5N CNJ AR CVQ EXFFF& D1 [WLN]
[641571-13-3] [RN]
3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoicacid
3-(4-Methylimidazol-1-yl)-5-(trifluoromethyl)benzoic acid
3-(4-Methylimidazol-1-yl)-5-trifluoromethylbenzoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 423.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.5±3.0 kJ/mol
    Flash Point: 209.9±28.7 °C
    Index of Refraction: 1.552
    Molar Refractivity: 61.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.17
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.97
    ACD/LogD (pH 7.4): -0.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 39.4±7.0 dyne/cm
    Molar Volume: 192.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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