ChemSpider 2D Image | (4,5-Dimethoxy-2-nitrophenyl)[3-(4-fluorophenyl)-4,5-dihydro[1,2]oxazolo[3,4-c]pyridin-6(7H)-yl]methanone | C21H18FN3O6

(4,5-Dimethoxy-2-nitrophenyl)[3-(4-fluorophenyl)-4,5-dihydro[1,2]oxazolo[3,4-c]pyridin-6(7H)-yl]methanone

  • Molecular FormulaC21H18FN3O6
  • Average mass427.383 Da
  • Monoisotopic mass427.117950 Da
  • ChemSpider ID34751842

More details:

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

(4,5-Dimethoxy-2-nitrophenyl)[3-(4-fluorophenyl)-4,5-dihydro[1,2]oxazolo[3,4-c]pyridin-6(7H)-yl]methanone [ACD/IUPAC Name]
(4,5-Diméthoxy-2-nitrophényl)[3-(4-fluorophényl)-4,5-dihydro[1,2]oxazolo[3,4-c]pyridin-6(7H)-yl]méthanone [French] [ACD/IUPAC Name]
(4,5-Dimethoxy-2-nitrophenyl)[3-(4-fluorphenyl)-4,5-dihydro[1,2]oxazolo[3,4-c]pyridin-6(7H)-yl]methanon [German] [ACD/IUPAC Name]
Methanone, (4,5-dimethoxy-2-nitrophenyl)[3-(4-fluorophenyl)-4,5-dihydroisoxazolo[3,4-c]pyridin-6(7H)-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 692.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.3±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 98.36
ACD/KOC (pH 5.5): 929.13
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 98.36
ACD/KOC (pH 7.4): 929.13
Polar Surface Area: 111 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

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