ChemSpider 2D Image | 2-{4-[3-(1,3-Benzodioxol-5-yl)-3-oxo-1-propen-1-yl]-2-bromo-6-ethoxyphenoxy}-N,N-dimethylacetamide | C22H22BrNO6

2-{4-[3-(1,3-Benzodioxol-5-yl)-3-oxo-1-propen-1-yl]-2-bromo-6-ethoxyphenoxy}-N,N-dimethylacetamide

  • Molecular FormulaC22H22BrNO6
  • Average mass476.317 Da
  • Monoisotopic mass475.063049 Da
  • ChemSpider ID35420808

More details:

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

2-{4-[3-(1,3-Benzodioxol-5-yl)-3-oxo-1-propen-1-yl]-2-brom-6-ethoxyphenoxy}-N,N-dimethylacetamid [German] [ACD/IUPAC Name]
2-{4-[3-(1,3-Benzodioxol-5-yl)-3-oxo-1-propen-1-yl]-2-bromo-6-ethoxyphenoxy}-N,N-dimethylacetamide [ACD/IUPAC Name]
2-{4-[3-(1,3-Benzodioxol-5-yl)-3-oxo-1-propén-1-yl]-2-bromo-6-éthoxyphénoxy}-N,N-diméthylacétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[4-[3-(1,3-benzodioxol-5-yl)-3-oxo-1-propen-1-yl]-2-bromo-6-ethoxyphenoxy]-N,N-dimethyl- [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: 630.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.4±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 116.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 100.22
ACD/KOC (pH 5.5): 941.68
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 100.22
ACD/KOC (pH 7.4): 941.68
Polar Surface Area: 74 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 335.6±3.0 cm3

Click to predict properties on the Chemicalize site


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