ChemSpider 2D Image | 5-{[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-1,3-benzodioxole-4-carbaldehyde | C20H18ClNO6

5-{[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-1,3-benzodioxole-4-carbaldehyde

  • Molecular FormulaC20H18ClNO6
  • Average mass403.813 Da
  • Monoisotopic mass403.082275 Da
  • ChemSpider ID22336956

More details:

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

1,3-Benzodioxole-4-carboxaldehyde, 5-[[3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolyl]methyl]-6,7-dimethoxy- [ACD/Index Name]
5-{[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-1,3-benzodioxole-4-carbaldehyde [ACD/IUPAC Name]
5-{[3-(4-Chlorophényl)-4,5-dihydro-1,2-oxazol-5-yl]méthyl}-6,7-diméthoxy-1,3-benzodioxole-4-carbaldéhyde [French] [ACD/IUPAC Name]
5-{[3-(4-Chlorphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-6,7-dimethoxy-1,3-benzodioxol-4-carbaldehyd [German] [ACD/IUPAC Name]
5-[3-(4-Chloro-phenyl)-4,5-dihydro-isoxazol-5-ylmethyl]-6,7-dimethoxy-benzo[1,3]dioxole-4-carbaldehyde
5-{[3-(4-chlorophenyl)(4,5-dihydroisoxazol-5-yl)]methyl}-6,7-dimethoxy-2H-benz o[d]1,3-dioxolene-4-carbaldehyde
5-{[3-(4-chlorophenyl)(4,5-dihydroisoxazol-5-yl)]methyl}-6,7-dimethoxy-2H-benzo[d]1,3-dioxolane-4-carbaldehyde
5-{[3-(4-chlorophenyl)(4,5-dihydroisoxazol-5-yl)]methyl}-6,7-dimethoxy-2H-benzo[d]1,3-dioxolene-4-carbaldehyde
5-{[3-(4-Chlorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}-6,7-dimethoxy-1,3-benzodioxole-4-carbaldehyde

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.1±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 99.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.30
ACD/KOC (pH 5.5): 1490.15
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.30
ACD/KOC (pH 7.4): 1490.15
Polar Surface Area: 76 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 282.4±7.0 cm3

Click to predict properties on the Chemicalize site


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