ChemSpider 2D Image | 9-[4-(Trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinoline | C21H11F6N5

9-[4-(Trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinoline

  • Molecular FormulaC21H11F6N5
  • Average mass447.336 Da
  • Monoisotopic mass447.091858 Da
  • ChemSpider ID129193319

More details:

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

3H-Pyrazolo[4,3-f]quinoline, 9-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]- [ACD/Index Name]
9-[4-(Trifluormethyl)phenyl]-7-[3-(trifluormethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]chinolin [German] [ACD/IUPAC Name]
9-[4-(Trifluorométhyl)phényl]-7-[3-(trifluorométhyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinoléine [French] [ACD/IUPAC Name]
9-[4-(Trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-1H-pyrazol-4-yl]-3H-pyrazolo[4,3-f]quinoline [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 610.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 323.3±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8579.31
ACD/KOC (pH 5.5): 22717.37
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 5772.78
ACD/KOC (pH 7.4): 15285.88
Polar Surface Area: 70 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 291.6±3.0 cm3

Click to predict properties on the Chemicalize site


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