ChemSpider 2D Image | 5,7-Dibromo-2-hydroxy-3-[3-(3-methoxyphenyl)acryloyl]-2,4,6-cycloheptatrien-1-one | C17H12Br2O4

5,7-Dibromo-2-hydroxy-3-[3-(3-methoxyphenyl)acryloyl]-2,4,6-cycloheptatrien-1-one

  • Molecular FormulaC17H12Br2O4
  • Average mass440.083 Da
  • Monoisotopic mass437.910217 Da
  • ChemSpider ID32786465

More details:

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

2,4,6-Cycloheptatrien-1-one, 5,7-dibromo-2-hydroxy-3-[3-(3-methoxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
5,7-Dibrom-2-hydroxy-3-[3-(3-methoxyphenyl)acryloyl]-2,4,6-cycloheptatrien-1-on [German] [ACD/IUPAC Name]
5,7-Dibromo-2-hydroxy-3-[3-(3-methoxyphenyl)acryloyl]-2,4,6-cycloheptatrien-1-one [ACD/IUPAC Name]
5,7-Dibromo-2-hydroxy-3-[3-(3-méthoxyphényl)acryloyl]-2,4,6-cycloheptatrién-1-one [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 415.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 205.2±28.7 °C
Index of Refraction: 1.714
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 13.30
ACD/KOC (pH 5.5): 112.30
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.94
Polar Surface Area: 64 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 242.4±3.0 cm3

Click to predict properties on the Chemicalize site


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