ChemSpider 2D Image | 2-{[3-(Trifluoromethyl)phenyl]amino}(~2~H_4_)benzoic acid | C14H6D4F3NO2

2-{[3-(Trifluoromethyl)phenyl]amino}(2H4)benzoic acid

  • Molecular FormulaC14H6D4F3NO2
  • Average mass285.255 Da
  • Monoisotopic mass285.091461 Da
  • ChemSpider ID48062825

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{[3-(Trifluormethyl)phenyl]amino}(2H4)benzoesäure [German] [ACD/IUPAC Name]
2-{[3-(Trifluoromethyl)phenyl]amino}(2H4)benzoic acid [ACD/IUPAC Name]
Acide 2-{[3-(trifluorométhyl)phényl]amino}(2H4)benzoïque [French] [ACD/IUPAC Name]
Benzoic-2,3,4,5-d4 acid, 6-[[3-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]
1185071-99-1 [RN]
2,3,4,5-tetradeuterio-6-[3-(trifluoromethyl)anilino]benzoic acid
FlufenamicAcid-d4

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 373.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.5±3.0 kJ/mol
    Flash Point: 179.9±27.9 °C
    Index of Refraction: 1.585
    Molar Refractivity: 67.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.62
    ACD/LogD (pH 5.5): 3.52
    ACD/BCF (pH 5.5): 102.69
    ACD/KOC (pH 5.5): 291.33
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 6.05
    ACD/KOC (pH 7.4): 17.15
    Polar Surface Area: 49 Å2
    Polarizability: 26.8±0.5 10-24cm3
    Surface Tension: 44.3±3.0 dyne/cm
    Molar Volume: 201.5±3.0 cm3

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