ChemSpider 2D Image | 1,3-Benzodioxol-5-yl 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate | C18H12BrNO6

1,3-Benzodioxol-5-yl 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate

  • Molecular FormulaC18H12BrNO6
  • Average mass418.195 Da
  • Monoisotopic mass416.984802 Da
  • ChemSpider ID22551817

More details:

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

1,3-Benzodioxol-5-yl 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate [ACD/IUPAC Name]
1,3-Benzodioxol-5-yl-3-(5-brom-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoat [German] [ACD/IUPAC Name]
2H-Isoindole-2-propanoic acid, 5-bromo-1,3-dihydro-1,3-dioxo-, 1,3-benzodioxol-5-yl ester [ACD/Index Name]
3-(5-Bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate de 1,3-benzodioxol-5-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 574.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 301.0±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 219.13
ACD/KOC (pH 5.5): 1648.47
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 219.13
ACD/KOC (pH 7.4): 1648.47
Polar Surface Area: 82 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 249.5±3.0 cm3

Click to predict properties on the Chemicalize site


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