ChemSpider 2D Image | 4-[1-(1,3-Benzodioxol-5-ylcarbonyl)-1,2,3,6-tetrahydro-4-pyridinyl]phenyl 3,5-dinitrobenzoate | C26H19N3O9

4-[1-(1,3-Benzodioxol-5-ylcarbonyl)-1,2,3,6-tetrahydro-4-pyridinyl]phenyl 3,5-dinitrobenzoate

  • Molecular FormulaC26H19N3O9
  • Average mass517.444 Da
  • Monoisotopic mass517.112122 Da
  • ChemSpider ID112585123

More details:

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

3,5-Dinitrobenzoate de 4-[1-(1,3-benzodioxol-5-ylcarbonyl)-1,2,3,6-tétrahydro-4-pyridinyl]phényle [French] [ACD/IUPAC Name]
4-[1-(1,3-Benzodioxol-5-ylcarbonyl)-1,2,3,6-tetrahydro-4-pyridinyl]phenyl 3,5-dinitrobenzoate [ACD/IUPAC Name]
4-[1-(1,3-Benzodioxol-5-ylcarbonyl)-1,2,3,6-tetrahydro-4-pyridinyl]phenyl-3,5-dinitrobenzoat [German] [ACD/IUPAC Name]
Methanone, 1,3-benzodioxol-5-yl[4-[4-[(3,5-dinitrobenzoyl)oxy]phenyl]-3,6-dihydro-1(2H)-pyridinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 731.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.9±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 131.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 342.59
ACD/KOC (pH 5.5): 2269.84
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 342.59
ACD/KOC (pH 7.4): 2269.84
Polar Surface Area: 157 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 68.8±3.0 dyne/cm
Molar Volume: 348.3±3.0 cm3

Click to predict properties on the Chemicalize site


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