ChemSpider 2D Image | 6-[3-(2-Pyridinyl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)-4(1H)-quinazolinone | C27H15F6N3O2

6-[3-(2-Pyridinyl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)-4(1H)-quinazolinone

  • Molecular FormulaC27H15F6N3O2
  • Average mass527.417 Da
  • Monoisotopic mass527.106873 Da
  • ChemSpider ID31138659

More details:

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

4(1H)-Quinazolinone, 6-[3-(2-pyridinyl)-2-(trifluoromethyl)phenoxy]-1-[(2,4,6-trifluorophenyl)methyl]- [ACD/Index Name]
6-[3-(2-Pyridinyl)-2-(trifluormethyl)phenoxy]-1-(2,4,6-trifluorbenzyl)-4(1H)-chinazolinon [German] [ACD/IUPAC Name]
6-[3-(2-Pyridinyl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)-4(1H)-quinazolinone [ACD/IUPAC Name]
6-[3-(2-Pyridinyl)-2-(trifluorométhyl)phénoxy]-1-(2,4,6-trifluorobenzyl)-4(1H)-quinazolinone [French] [ACD/IUPAC Name]
6-[3-(Pyridin-2-Yl)-2-(Trifluoromethyl)phenoxy]-1-(2,4,6-Trifluorobenzyl)quinazolin-4(1h)-One
1O0

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

Density: 1.4±0.1 g/cm3
Boiling Point: 612.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.5±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 47732.16
ACD/KOC (pH 5.5): 77412.84
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 48448.55
ACD/KOC (pH 7.4): 78574.70
Polar Surface Area: 55 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 370.8±7.0 cm3

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