ChemSpider 2D Image | Propyl {4-[(1E)-3-(3,5-dichloro-2-methoxyphenyl)-3-oxo-1-propen-1-yl]-2-nitrophenoxy}acetate | C21H19Cl2NO7

Propyl {4-[(1E)-3-(3,5-dichloro-2-methoxyphenyl)-3-oxo-1-propen-1-yl]-2-nitrophenoxy}acetate

  • Molecular FormulaC21H19Cl2NO7
  • Average mass468.284 Da
  • Monoisotopic mass467.053864 Da
  • ChemSpider ID126721291

  • Double-bond stereo - Double-bond stereo

More details:

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

{4-[(1E)-3-(3,5-Dichloro-2-méthoxyphényl)-3-oxo-1-propén-1-yl]-2-nitrophénoxy}acétate de propyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[4-[(1E)-3-(3,5-dichloro-2-methoxyphenyl)-3-oxo-1-propen-1-yl]-2-nitrophenoxy]-, propyl ester [ACD/Index Name]
Propyl {4-[(1E)-3-(3,5-dichloro-2-methoxyphenyl)-3-oxo-1-propen-1-yl]-2-nitrophenoxy}acetate [ACD/IUPAC Name]
Propyl-{4-[(1E)-3-(3,5-dichlor-2-methoxyphenyl)-3-oxo-1-propen-1-yl]-2-nitrophenoxy}acetat [German] [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: 625.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.1±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3020.56
ACD/KOC (pH 5.5): 10780.56
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3020.56
ACD/KOC (pH 7.4): 10780.56
Polar Surface Area: 108 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 343.1±3.0 cm3

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