ChemSpider 2D Image | 2-[(2-Ethoxy-2-oxoethyl)(phenyl)amino]-2-oxoethyl 7-chloro-1,3-benzodioxole-5-carboxylate | C20H18ClNO7

2-[(2-Ethoxy-2-oxoethyl)(phenyl)amino]-2-oxoethyl 7-chloro-1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC20H18ClNO7
  • Average mass419.812 Da
  • Monoisotopic mass419.077179 Da
  • ChemSpider ID31066964

More details:

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

1,3-Benzodioxole-5-carboxylic acid, 7-chloro-, 2-[(2-ethoxy-2-oxoethyl)phenylamino]-2-oxoethyl ester [ACD/Index Name]
2-[(2-Ethoxy-2-oxoethyl)(phenyl)amino]-2-oxoethyl 7-chloro-1,3-benzodioxole-5-carboxylate [ACD/IUPAC Name]
2-[(2-Ethoxy-2-oxoethyl)(phenyl)amino]-2-oxoethyl-7-chlor-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC Name]
7-Chloro-1,3-benzodioxole-5-carboxylate de 2-[(2-éthoxy-2-oxoéthyl)(phényl)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: 582.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.1±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 103.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 168.77
ACD/KOC (pH 5.5): 1367.45
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 168.77
ACD/KOC (pH 7.4): 1367.45
Polar Surface Area: 91 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 299.5±3.0 cm3

Click to predict properties on the Chemicalize site


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