ChemSpider 2D Image | [4-(TRIFLUOROMETHYL)PYRAZOL-1-YL]ACETIC ACID | C6H5F3N2O2

[4-(TRIFLUOROMETHYL)PYRAZOL-1-YL]ACETIC ACID

  • Molecular FormulaC6H5F3N2O2
  • Average mass194.111 Da
  • Monoisotopic mass194.030319 Da
  • ChemSpider ID32843901

More details:

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

[4-(Trifluormethyl)-1H-pyrazol-1-yl]essigsäure [German] [ACD/IUPAC Name]
[4-(Trifluoromethyl)-1H-pyrazol-1-yl]acetic acid [ACD/IUPAC Name]
[4-(TRIFLUOROMETHYL)PYRAZOL-1-YL]ACETIC ACID
1341347-35-0 [RN]
1H-Pyrazole-1-acetic acid, 4-(trifluoromethyl)- [ACD/Index Name]
2-[4-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
Acide [4-(trifluorométhyl)-1H-pyrazol-1-yl]acétique [French] [ACD/IUPAC Name]
(4-Trifluoromethyl-pyrazol-1-yl)-acetic acid
2-(4-(Trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
2-[4-(trifluoromethyl)pyrazol-1-yl]acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 292.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 56.2±3.0 kJ/mol
    Flash Point: 130.5±27.3 °C
    Index of Refraction: 1.497
    Molar Refractivity: 36.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.78
    ACD/LogD (pH 5.5): -1.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.60
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 14.5±0.5 10-24cm3
    Surface Tension: 39.0±7.0 dyne/cm
    Molar Volume: 124.8±7.0 cm3

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