ChemSpider 2D Image | 2-(4-Bromo-2,6-difluorophenyl)-1,3(2H,4H)-isoquinolinedione | C15H8BrF2NO2

2-(4-Bromo-2,6-difluorophenyl)-1,3(2H,4H)-isoquinolinedione

  • Molecular FormulaC15H8BrF2NO2
  • Average mass352.130 Da
  • Monoisotopic mass350.970642 Da
  • ChemSpider ID48816038

More details:






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

1,3(2H,4H)-Isoquinolinedione, 2-(4-bromo-2,6-difluorophenyl)- [ACD/Index Name]
2-(4-Brom-2,6-difluorphenyl)-1,3(2H,4H)-isochinolindion [German] [ACD/IUPAC Name]
2-(4-Bromo-2,6-difluorophényl)-1,3(2H,4H)-isoquinoléinedione [French] [ACD/IUPAC Name]
2-(4-Bromo-2,6-difluorophenyl)-1,3(2H,4H)-isoquinolinedione [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 465.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 235.5±28.7 °C
Index of Refraction: 1.630
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.15
ACD/KOC (pH 5.5): 1072.23
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.15
ACD/KOC (pH 7.4): 1072.23
Polar Surface Area: 37 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 209.1±3.0 cm3

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