ChemSpider 2D Image | 4-Bromo-2,4,6-cycloheptatrien-1-one | C7H5BrO

4-Bromo-2,4,6-cycloheptatrien-1-one

  • Molecular FormulaC7H5BrO
  • Average mass185.018 Da
  • Monoisotopic mass183.952377 Da
  • ChemSpider ID74848496

More details:






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

2,4,6-Cycloheptatrien-1-one, 4-bromo- [ACD/Index Name]
4-Brom-2,4,6-cycloheptatrien-1-on [German] [ACD/IUPAC Name]
4-Bromo-2,4,6-cycloheptatrien-1-one [ACD/IUPAC Name]
4-Bromo-2,4,6-cycloheptatrién-1-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 241.4±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.8±3.0 kJ/mol
Flash Point: 103.7±11.6 °C
Index of Refraction: 1.607
Molar Refractivity: 39.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.64
ACD/KOC (pH 5.5): 120.05
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.64
ACD/KOC (pH 7.4): 120.05
Polar Surface Area: 17 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 112.9±3.0 cm3

Click to predict properties on the Chemicalize site






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