ChemSpider 2D Image | 5,7-Dibromo-2-hydroxy-3-[3-(3-methylphenyl)acryloyl]-2,4,6-cycloheptatrien-1-one | C17H12Br2O3

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

  • Molecular FormulaC17H12Br2O3
  • Average mass424.083 Da
  • Monoisotopic mass421.915314 Da
  • ChemSpider ID32786464

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-methylphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
5,7-Dibrom-2-hydroxy-3-[3-(3-methylphenyl)acryloyl]-2,4,6-cycloheptatrien-1-on [German] [ACD/IUPAC Name]
5,7-Dibromo-2-hydroxy-3-[3-(3-methylphenyl)acryloyl]-2,4,6-cycloheptatrien-1-one [ACD/IUPAC Name]
5,7-Dibromo-2-hydroxy-3-[3-(3-méthylphényl)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: 393.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 192.0±27.9 °C
Index of Refraction: 1.726
Molar Refractivity: 93.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 22.53
ACD/KOC (pH 5.5): 163.79
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.83
Polar Surface Area: 54 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 234.6±3.0 cm3

Click to predict properties on the Chemicalize site


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