ChemSpider 2D Image | 4-Bromobicyclo[3.2.0]hepta-1,6-dien-3-one | C7H5BrO

4-Bromobicyclo[3.2.0]hepta-1,6-dien-3-one

  • Molecular FormulaC7H5BrO
  • Average mass185.018 Da
  • Monoisotopic mass183.952377 Da
  • ChemSpider ID60605948

More details:






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

4-Brombicyclo[3.2.0]hepta-1,6-dien-3-on [German] [ACD/IUPAC Name]
4-Bromobicyclo[3.2.0]hepta-1,6-dien-3-one [ACD/IUPAC Name]
4-Bromobicyclo[3.2.0]hepta-1,6-dién-3-one [French] [ACD/IUPAC Name]
Bicyclo[3.2.0]hepta-1,6-dien-3-one, 4-bromo- [ACD/Index Name]
51577-31-2 [RN]
MFCD20631149

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

Density: 1.8±0.1 g/cm3
Boiling Point: 323.5±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 172.5±12.2 °C
Index of Refraction: 1.637
Molar Refractivity: 37.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.62
ACD/KOC (pH 5.5): 69.36
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 69.36
Polar Surface Area: 17 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 105.2±5.0 cm3

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