ChemSpider 2D Image | (1r,4r)-3-(Benzoyloxy)-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane | C22H23N2O5

(1r,4r)-3-(Benzoyloxy)-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane

  • Molecular FormulaC22H23N2O5
  • Average mass395.428 Da
  • Monoisotopic mass395.160156 Da
  • ChemSpider ID21523639

  • Charge - Charge

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1r,4r)-3-(Benzoyloxy)-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan [German] [ACD/IUPAC Name]
(1r,4r)-3-(Benzoyloxy)-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octane [ACD/IUPAC Name]
(1r,4r)-3-(Benzoyloxy)-1-[2-(4-nitrophényl)-2-oxoéthyl]-1-azoniabicyclo[2.2.2]octane [French] [ACD/IUPAC Name]
1-Azoniabicyclo[2.2.2]octane, 3-(benzoyloxy)-1-[2-(4-nitrophenyl)-2-oxoethyl]- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.20
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.20
Polar Surface Area: 89 Å2
Polarizability:
Surface Tension:
Molar Volume:

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