ChemSpider 2D Image | [2-ETHYL-5-(TRIFLUOROMETHYL)PYRAZOL-3-YL]ACETIC ACID | C8H9F3N2O2

[2-ETHYL-5-(TRIFLUOROMETHYL)PYRAZOL-3-YL]ACETIC ACID

  • Molecular FormulaC8H9F3N2O2
  • Average mass222.165 Da
  • Monoisotopic mass222.061615 Da
  • ChemSpider ID28346596

More details:

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

[1-Ethyl-3-(trifluormethyl)-1H-pyrazol-5-yl]essigsäure [German] [ACD/IUPAC Name]
[1-Ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]acetic acid [ACD/IUPAC Name]
[2-ETHYL-5-(TRIFLUOROMETHYL)PYRAZOL-3-YL]ACETIC ACID
1260659-37-7 [RN]
1H-Pyrazole-5-acetic acid, 1-ethyl-3-(trifluoromethyl)- [ACD/Index Name]
2-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]acetic acid
Acide [1-éthyl-3-(trifluorométhyl)-1H-pyrazol-5-yl]acétique [French] [ACD/IUPAC Name]
2-(1-Ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)acetic acid
MFCD18262413

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 299.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.0±3.0 kJ/mol
    Flash Point: 135.0±25.9 °C
    Index of Refraction: 1.495
    Molar Refractivity: 45.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.96
    ACD/LogD (pH 5.5): -0.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.19
    ACD/LogD (pH 7.4): -2.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 55 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 35.6±7.0 dyne/cm
    Molar Volume: 156.2±7.0 cm3

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