ChemSpider 2D Image | 8-Bromo-5,6-difluoro-3,4-dihydro-1H-isochromen-1-one | C9H5BrF2O2

8-Bromo-5,6-difluoro-3,4-dihydro-1H-isochromen-1-one

  • Molecular FormulaC9H5BrF2O2
  • Average mass263.036 Da
  • Monoisotopic mass261.944092 Da
  • ChemSpider ID58822193

More details:

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

1H-2-Benzopyran-1-one, 8-bromo-5,6-difluoro-3,4-dihydro- [ACD/Index Name]
8-Brom-5,6-difluor-3,4-dihydro-1H-isochromen-1-on [German] [ACD/IUPAC Name]
8-Bromo-5,6-difluoro-3,4-dihydro-1H-isochromen-1-one [ACD/IUPAC Name]
8-Bromo-5,6-difluoro-3,4-dihydro-1H-isochromén-1-one [French] [ACD/IUPAC Name]
1823929-82-3 [RN]
MFCD27976208

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

Density: 1.8±0.1 g/cm3
Boiling Point: 404.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 198.2±28.7 °C
Index of Refraction: 1.558
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.98
ACD/KOC (pH 5.5): 892.46
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.98
ACD/KOC (pH 7.4): 892.46
Polar Surface Area: 26 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 148.4±3.0 cm3

Click to predict properties on the Chemicalize site


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