ChemSpider 2D Image | 4-(4-Nitro-1-naphthyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5-dione | C20H18N2O4

4-(4-Nitro-1-naphthyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione

  • Molecular FormulaC20H18N2O4
  • Average mass350.368 Da
  • Monoisotopic mass350.126648 Da
  • ChemSpider ID21607660

More details:






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

4-(4-Nitro-1-naphthyl)-4-azatricyclo[5.2.2.02,6]undecan-3,5-dion [German] [ACD/IUPAC Name]
4-(4-Nitro-1-naphthyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione [ACD/IUPAC Name]
4-(4-Nitro-1-naphtyl)-4-azatricyclo[5.2.2.02,6]undécane-3,5-dione [French] [ACD/IUPAC Name]
4,7-Ethano-1H-isoindole-1,3(2H)-dione, hexahydro-2-(4-nitro-1-naphthalenyl)- [ACD/Index Name]
(1R,2S,6R,7S)-4-(4-nitronaphthalen-1-yl)-4-azatricyclo[5.2.2.0²,⁶]undecane-3,5-dione
(1S,2R,6S)-4-(4-nitronaphthalen-1-yl)-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
(3Aα,4α,7α,7AALPHA)- 3A,4,7,7A-TETRAHYDRO-2-(4-NITRO-1-NAPHTHALENYL)-4,7-ETHANO-1H-ISOINDOLE-1,3(2H)-DIONE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 640.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 341.0±26.8 °C
Index of Refraction: 1.679
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 298.98
ACD/KOC (pH 5.5): 2059.05
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 298.98
ACD/KOC (pH 7.4): 2059.05
Polar Surface Area: 83 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 251.4±3.0 cm3

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