ChemSpider 2D Image | Isobutyl {4-[(1E)-3-(3,5-dichloro-4-methoxyphenyl)-3-oxo-1-propen-1-yl]-2-ethoxy-6-nitrophenoxy}acetate | C24H25Cl2NO8

Isobutyl {4-[(1E)-3-(3,5-dichloro-4-methoxyphenyl)-3-oxo-1-propen-1-yl]-2-ethoxy-6-nitrophenoxy}acetate

  • Molecular FormulaC24H25Cl2NO8
  • Average mass526.363 Da
  • Monoisotopic mass525.095703 Da
  • ChemSpider ID126749733

  • 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-4-méthoxyphényl)-3-oxo-1-propén-1-yl]-2-éthoxy-6-nitrophénoxy}acétate d'isobutyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[4-[(1E)-3-(3,5-dichloro-4-methoxyphenyl)-3-oxo-1-propen-1-yl]-2-ethoxy-6-nitrophenoxy]-, 2-methylpropyl ester [ACD/Index Name]
Isobutyl {4-[(1E)-3-(3,5-dichloro-4-methoxyphenyl)-3-oxo-1-propen-1-yl]-2-ethoxy-6-nitrophenoxy}acetate [ACD/IUPAC Name]
Isobutyl-{4-[(1E)-3-(3,5-dichlor-4-methoxyphenyl)-3-oxo-1-propen-1-yl]-2-ethoxy-6-nitrophenoxy}acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 661.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 133.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17737.03
ACD/KOC (pH 5.5): 38276.82
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17737.03
ACD/KOC (pH 7.4): 38276.82
Polar Surface Area: 117 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 400.5±3.0 cm3

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