ChemSpider 2D Image | 2-[3-(trifluoromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-1-yl]acetic acid | C9H9F3N2O3

2-[3-(trifluoromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-1-yl]acetic acid

  • Molecular FormulaC9H9F3N2O3
  • Average mass250.175 Da
  • Monoisotopic mass250.056534 Da
  • ChemSpider ID34496172

More details:

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

[3-(Trifluormethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]essigsäure [German] [ACD/IUPAC Name]
[3-(Trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]acetic acid [ACD/IUPAC Name]
1189583-13-8 [RN]
2-[3-(trifluoromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-1-yl]acetic acid
Acide [3-(trifluorométhyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl]acétique [French] [ACD/IUPAC Name]
Pyrano[4,3-c]pyrazole-1(4H)-acetic acid, 6,7-dihydro-3-(trifluoromethyl)- [ACD/Index Name]
[3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazole-1(4H)-yl]acetic acid
2-(3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)acetic acid
2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetic acid
F2198-0033
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 374.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.6±3.0 kJ/mol
    Flash Point: 180.5±27.9 °C
    Index of Refraction: 1.564
    Molar Refractivity: 49.2±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.62
    ACD/LogD (pH 5.5): -1.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 45.2±7.0 dyne/cm
    Molar Volume: 151.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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