ChemSpider 2D Image | (2Z)-3-{3-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}acrylic acid | C13H7F6N3O2

(2Z)-3-{3-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}acrylic acid

  • Molecular FormulaC13H7F6N3O2
  • Average mass351.204 Da
  • Monoisotopic mass351.044250 Da
  • ChemSpider ID67864933

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-{3-[3,5-Bis(trifluormethyl)phenyl]-1H-1,2,4-triazol-1-yl}acrylsäure [German] [ACD/IUPAC Name]
(2Z)-3-{3-[3,5-Bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}acrylic acid [ACD/IUPAC Name]
(2Z)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}prop-2-enoic acid
1388842-44-1 [RN]
2-Propenoic acid, 3-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]-, (2Z)- [ACD/Index Name]
Acide (2Z)-3-{3-[3,5-bis(trifluorométhyl)phényl]-1H-1,2,4-triazol-1-yl}acrylique [French] [ACD/IUPAC Name]
(2z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1h-1,2,4-triazol-1-yl]-2-propenoic acid
(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)acrylic acid
(z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1h-1,2,4-triazol-1-yl)acrylicacid
(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 420.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.1±3.0 kJ/mol
    Flash Point: 208.0±31.5 °C
    Index of Refraction: 1.521
    Molar Refractivity: 69.4±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.28
    ACD/LogD (pH 5.5): -0.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.44
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 37.2±7.0 dyne/cm
    Molar Volume: 227.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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