ChemSpider 2D Image | 3-((4-(Trifluoromethyl)phenyl)amino)benzoic acid | C14H10F3NO2

3-((4-(Trifluoromethyl)phenyl)amino)benzoic acid

  • Molecular FormulaC14H10F3NO2
  • Average mass281.230 Da
  • Monoisotopic mass281.066376 Da
  • ChemSpider ID26385080

More details:

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

1284180-11-5 [RN]
3-((4-(Trifluoromethyl)phenyl)amino)benzoic acid
3-{[4-(Trifluormethyl)phenyl]amino}benzoesäure [German] [ACD/IUPAC Name]
3-{[4-(Trifluoromethyl)phenyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 3-{[4-(trifluorométhyl)phényl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[4-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]
AKR1C3 Inhibitor - Calbiochem
BT9
MFCD28016823

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 402.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 69.0±3.0 kJ/mol
    Flash Point: 197.4±28.7 °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: 0
    ACD/LogP: 4.01
    ACD/LogD (pH 5.5): 2.82
    ACD/BCF (pH 5.5): 43.11
    ACD/KOC (pH 5.5): 239.10
    ACD/LogD (pH 7.4): 1.20
    ACD/BCF (pH 7.4): 1.03
    ACD/KOC (pH 7.4): 5.70
    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

    Click to predict properties on the Chemicalize site


    Advertisement