ChemSpider 2D Image | 2-[(8-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)amino]-2-oxoethyl 2-(3-chlorophenoxy)propanoate | C20H19ClN2O8

2-[(8-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)amino]-2-oxoethyl 2-(3-chlorophenoxy)propanoate

  • Molecular FormulaC20H19ClN2O8
  • Average mass450.827 Da
  • Monoisotopic mass450.083008 Da
  • ChemSpider ID33082249

More details:

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

2-(3-Chlorophénoxy)propanoate de 2-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxépin-7-yl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(8-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)amino]-2-oxoethyl 2-(3-chlorophenoxy)propanoate [ACD/IUPAC Name]
2-[(8-Nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)amino]-2-oxoethyl-2-(3-chlorphenoxy)propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-(3-chlorophenoxy)-, 2-[(3,4-dihydro-8-nitro-2H-1,5-benzodioxepin-7-yl)amino]-2-oxoethyl ester [ACD/Index 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: 639.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.5±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 495.07
ACD/KOC (pH 5.5): 2954.21
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 494.36
ACD/KOC (pH 7.4): 2950.01
Polar Surface Area: 129 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 314.7±3.0 cm3

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