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Search term: LZJVCEHKGOLPSP (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1,4-Dibromobicyclo[2.1.1]hex-2-en-5-one | C6H4Br2O

1,4-Dibromobicyclo[2.1.1]hex-2-en-5-one

  • Molecular FormulaC6H4Br2O
  • Average mass251.903 Da
  • Monoisotopic mass249.862869 Da
  • ChemSpider ID97115230

More details:






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

1,4-Dibrombicyclo[2.1.1]hex-2-en-5-on [German] [ACD/IUPAC Name]
1,4-Dibromobicyclo[2.1.1]hex-2-en-5-one [ACD/IUPAC Name]
1,4-Dibromobicyclo[2.1.1]hex-2-én-5-one [French] [ACD/IUPAC Name]
Bicyclo[2.1.1]hex-2-en-5-one, 1,4-dibromo- [ACD/Index Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 219.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 89.5±13.9 °C
Index of Refraction: 1.800
Molar Refractivity: 40.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.70
ACD/KOC (pH 5.5): 88.75
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 88.75
Polar Surface Area: 17 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 100.3±3.0 dyne/cm
Molar Volume: 95.5±3.0 cm3

Click to predict properties on the Chemicalize site






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