ChemSpider 2D Image | 4-[4-(2,4-Dichlorophenoxy)phenyl]-8-(2,5-dimethylphenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione | C29H25Cl2NO3

4-[4-(2,4-Dichlorophenoxy)phenyl]-8-(2,5-dimethylphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

  • Molecular FormulaC29H25Cl2NO3
  • Average mass506.420 Da
  • Monoisotopic mass505.121155 Da
  • ChemSpider ID17536383

More details:

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

4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[4-(2,4-dichlorophenoxy)phenyl]-5-(2,5-dimethylphenyl)hexahydro- [ACD/Index Name]
4-[4-(2,4-Dichlorophenoxy)phenyl]-8-(2,5-dimethylphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione [ACD/IUPAC Name]
4-[4-(2,4-Dichlorophénoxy)phényl]-8-(2,5-diméthylphényl)-4-azatricyclo[5.2.1.02,6]décane-3,5-dione [French] [ACD/IUPAC Name]
4-[4-(2,4-Dichlorphenoxy)phenyl]-8-(2,5-dimethylphenyl)-4-azatricyclo[5.2.1.02,6]decan-3,5-dion [German] [ACD/IUPAC Name]
2-[4-(2,4-dichlorophenoxy)phenyl]-5-(2,5-dimethylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
2-[4-(2,4-dichlorophenoxy)phenyl]-5-(2,5-dimethylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 680.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.6±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 136.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 6.57
ACD/BCF (pH 5.5): 58491.81
ACD/KOC (pH 5.5): 89922.41
ACD/LogD (pH 7.4): 6.57
ACD/BCF (pH 7.4): 58491.81
ACD/KOC (pH 7.4): 89922.41
Polar Surface Area: 47 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 378.9±3.0 cm3

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