ChemSpider 2D Image | [4-(Cyanomethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid | C8H6F3N3O2

[4-(Cyanomethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

  • Molecular FormulaC8H6F3N3O2
  • Average mass233.147 Da
  • Monoisotopic mass233.041214 Da
  • ChemSpider ID53621425

More details:

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

[4-(Cyanmethyl)-3-(trifluormethyl)-1H-pyrazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
[4-(Cyanomethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 4-(cyanomethyl)-3-(trifluoromethyl)- [ACD/Index Name]
Acide [4-(cyanométhyl)-3-(trifluorométhyl)-1H-pyrazol-1-yl]acétique [French] [ACD/IUPAC Name]
2-(4-(cyanomethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
2098015-53-1 [RN]
MFCD30009293

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 385.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 66.9±3.0 kJ/mol
    Flash Point: 186.9±27.9 °C
    Index of Refraction: 1.531
    Molar Refractivity: 47.6±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.01
    ACD/LogD (pH 5.5): -1.87
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 79 Å2
    Polarizability: 18.9±0.5 10-24cm3
    Surface Tension: 44.0±7.0 dyne/cm
    Molar Volume: 153.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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