ChemSpider 2D Image | Methyl 4-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate | C13H11Cl2NO4

Methyl 4-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate

  • Molecular FormulaC13H11Cl2NO4
  • Average mass316.137 Da
  • Monoisotopic mass315.006500 Da
  • ChemSpider ID31702764

More details:

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

2H-Isoindole-2-butanoic acid, 5,6-dichloro-1,3-dihydro-1,3-dioxo-, methyl ester [ACD/Index Name]
4-(5,6-Dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate [ACD/IUPAC Name]
Methyl-4-(5,6-dichlor-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoat [German] [ACD/IUPAC 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: 446.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 223.8±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 72.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.45
ACD/KOC (pH 5.5): 483.11
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.45
ACD/KOC (pH 7.4): 483.11
Polar Surface Area: 64 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 217.1±3.0 cm3

Click to predict properties on the Chemicalize site


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