ChemSpider 2D Image | 2-{[3-(3,4-Difluorophenyl)-6,7-dihydro[1,2]oxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}benzonitrile | C20H13F2N3O2

2-{[3-(3,4-Difluorophenyl)-6,7-dihydro[1,2]oxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}benzonitrile

  • Molecular FormulaC20H13F2N3O2
  • Average mass365.333 Da
  • Monoisotopic mass365.097595 Da
  • ChemSpider ID29642173

More details:

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

2-{[3-(3,4-Difluorophenyl)-6,7-dihydro[1,2]oxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}benzonitrile [ACD/IUPAC Name]
2-{[3-(3,4-Difluorophényl)-6,7-dihydro[1,2]oxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}benzonitrile [French] [ACD/IUPAC Name]
2-{[3-(3,4-Difluorphenyl)-6,7-dihydro[1,2]oxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 2-[[3-(3,4-difluorophenyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl]- [ACD/Index Name]
2-{[3-(3,4-difluorophenyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}benzonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 627.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.4±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.78
ACD/KOC (pH 5.5): 726.68
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.78
ACD/KOC (pH 7.4): 726.68
Polar Surface Area: 70 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 252.8±5.0 cm3

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