ChemSpider 2D Image | 4-Bromo-2,5-cyclohexadien-1-one | C6H5BrO

4-Bromo-2,5-cyclohexadien-1-one

  • Molecular FormulaC6H5BrO
  • Average mass173.007 Da
  • Monoisotopic mass171.952377 Da
  • ChemSpider ID60743648

More details:

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

2,5-Cyclohexadien-1-one, 4-bromo- [ACD/Index Name]
4-Brom-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-Bromo-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-Bromo-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
84559-79-5 [RN]
MFCD20623391

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

Density: 1.7±0.1 g/cm3
Boiling Point: 216.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.3±3.0 kJ/mol
Flash Point: 101.8±14.7 °C
Index of Refraction: 1.584
Molar Refractivity: 34.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.80
ACD/KOC (pH 5.5): 72.67
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.80
ACD/KOC (pH 7.4): 72.67
Polar Surface Area: 17 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 103.9±3.0 cm3

Click to predict properties on the Chemicalize site


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