ChemSpider 2D Image | 3-(4-Chlorophenyl)-9-cyclopentyl-2-(trifluoromethyl)-9,10-dihydro-4H,8H-chromeno[8,7-e][1,3]oxazin-4-one | C23H19ClF3NO3

3-(4-Chlorophenyl)-9-cyclopentyl-2-(trifluoromethyl)-9,10-dihydro-4H,8H-chromeno[8,7-e][1,3]oxazin-4-one

  • Molecular FormulaC23H19ClF3NO3
  • Average mass449.850 Da
  • Monoisotopic mass449.100555 Da
  • ChemSpider ID24570111

More details:






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

3-(4-Chlorophenyl)-9-cyclopentyl-2-(trifluoromethyl)-9,10-dihydro-4H,8H-chromeno[8,7-e][1,3]oxazin-4-one [ACD/IUPAC Name]
3-(4-Chlorophényl)-9-cyclopentyl-2-(trifluorométhyl)-9,10-dihydro-4H,8H-chroméno[8,7-e][1,3]oxazin-4-one [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-9-cyclopentyl-2-(trifluormethyl)-9,10-dihydro-4H,8H-chromeno[8,7-e][1,3]oxazin-4-on [German] [ACD/IUPAC Name]
4H,8H-Pyrano[2,3-f][1,3]benzoxazin-4-one, 3-(4-chlorophenyl)-9-cyclopentyl-9,10-dihydro-2-(trifluoromethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 518.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 267.2±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 5049.03
ACD/KOC (pH 5.5): 12573.48
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10567.12
ACD/KOC (pH 7.4): 26315.05
Polar Surface Area: 39 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 313.6±3.0 cm3

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