ChemSpider 2D Image | Diethyl {[(2E)-3-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenoyl]amino}malonate | C18H20ClNO7

Diethyl {[(2E)-3-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenoyl]amino}malonate

  • Molecular FormulaC18H20ClNO7
  • Average mass397.807 Da
  • Monoisotopic mass397.092834 Da
  • ChemSpider ID22847153

  • Double-bond stereo - Double-bond stereo

More details:

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

{[(2E)-3-(8-Chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenoyl]amino}malonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {[(2E)-3-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenoyl]amino}malonate [ACD/IUPAC Name]
Diethyl-{[(2E)-3-(8-chlor-2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenoyl]amino}malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[[(2E)-3-(8-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxo-2-propen-1-yl]amino]-, diethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 587.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.2±30.1 °C
Index of Refraction: 1.562
Molar Refractivity: 97.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.07
ACD/KOC (pH 5.5): 556.54
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.06
ACD/KOC (pH 7.4): 556.46
Polar Surface Area: 100 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 300.1±3.0 cm3

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