ChemSpider 2D Image | Ethyl 3-{4-[(3,4-dichlorobenzyl)oxy]-3-nitrophenyl}-3-ethoxypropanoate | C20H21Cl2NO6

Ethyl 3-{4-[(3,4-dichlorobenzyl)oxy]-3-nitrophenyl}-3-ethoxypropanoate

  • Molecular FormulaC20H21Cl2NO6
  • Average mass442.290 Da
  • Monoisotopic mass441.074585 Da
  • ChemSpider ID37998147

More details:

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

3-{4-[(3,4-Dichlorobenzyl)oxy]-3-nitrophényl}-3-éthoxypropanoate d'éthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[(3,4-dichlorophenyl)methoxy]-β-ethoxy-3-nitro-, ethyl ester [ACD/Index Name]
Ethyl 3-{4-[(3,4-dichlorobenzyl)oxy]-3-nitrophenyl}-3-ethoxypropanoate [ACD/IUPAC Name]
Ethyl-3-{4-[(3,4-dichlorbenzyl)oxy]-3-nitrophenyl}-3-ethoxypropanoat [German] [ACD/IUPAC Name]
1202577-47-6 [RN]
Ethyl 3-[4-(3,4-dichlorobenzyloxy)-3-nitrophenyl]-3-ethoxypropionate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 560.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.6±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10625.78
ACD/KOC (pH 5.5): 26525.18
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10625.78
ACD/KOC (pH 7.4): 26525.18
Polar Surface Area: 91 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 335.8±3.0 cm3

Click to predict properties on the Chemicalize site


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