ChemSpider 2D Image | 2-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amino]-2-oxoethyl 7-chloro-1,3-benzodioxole-5-carboxylate | C20H18ClNO7

2-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amino]-2-oxoethyl 7-chloro-1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC20H18ClNO7
  • Average mass419.812 Da
  • Monoisotopic mass419.077179 Da
  • ChemSpider ID30571661

More details:

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

1,3-Benzodioxole-5-carboxylic acid, 7-chloro-, 2-[[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]methylamino]-2-oxoethyl ester [ACD/Index Name]
2-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amino]-2-oxoethyl 7-chloro-1,3-benzodioxole-5-carboxylate [ACD/IUPAC Name]
2-[(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amino]-2-oxoethyl-7-chlor-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC Name]
7-Chloro-1,3-benzodioxole-5-carboxylate de 2-[(2,3-dihydro-1,4-benzodioxin-2-ylméthyl)(méthyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 605.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.9±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.97
ACD/KOC (pH 5.5): 667.52
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.97
ACD/KOC (pH 7.4): 667.52
Polar Surface Area: 84 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 298.7±3.0 cm3

Click to predict properties on the Chemicalize site


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