ChemSpider 2D Image | Methyl 3-{[3-(3,4-difluorophenyl)-6,7-dihydro[1,2]oxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}benzoate | C21H16F2N2O4

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

  • Molecular FormulaC21H16F2N2O4
  • Average mass398.359 Da
  • Monoisotopic mass398.107819 Da
  • ChemSpider ID22187656

More details:

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

3-{[3-(3,4-Difluorophényl)-6,7-dihydro[1,2]oxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-(3,4-difluorophenyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl 3-{[3-(3,4-difluorophenyl)-6,7-dihydro[1,2]oxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}benzoate [ACD/IUPAC Name]
Methyl-3-{[3-(3,4-difluorphenyl)-6,7-dihydro[1,2]oxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}benzoat [German] [ACD/IUPAC Name]
methyl 3-{[3-(3,4-difluorophenyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}benzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 616.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.7±31.5 °C
Index of Refraction: 1.589
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.50
ACD/KOC (pH 5.5): 1156.19
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.50
ACD/KOC (pH 7.4): 1156.19
Polar Surface Area: 73 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 292.0±3.0 cm3

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