ChemSpider 2D Image | (3aS,9bS)-7-Bromo-2,3,3a,9b-tetrahydro-5H-furo[3,2-c]isochromen-5-one | C11H9BrO3

(3aS,9bS)-7-Bromo-2,3,3a,9b-tetrahydro-5H-furo[3,2-c]isochromen-5-one

  • Molecular FormulaC11H9BrO3
  • Average mass269.091 Da
  • Monoisotopic mass267.973511 Da
  • ChemSpider ID30651794

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,9bS)-7-Brom-2,3,3a,9b-tetrahydro-5H-furo[3,2-c]isochromen-5-on [German] [ACD/IUPAC Name]
(3aS,9bS)-7-Bromo-2,3,3a,9b-tetrahydro-5H-furo[3,2-c]isochromen-5-one [ACD/IUPAC Name]
(3aS,9bS)-7-Bromo-2,3,3a,9b-tétrahydro-5H-furo[3,2-c]isochromén-5-one [French] [ACD/IUPAC Name]
5H-Furo[3,2-c][2]benzopyran-5-one, 7-bromo-2,3,3a,9b-tetrahydro-, (3aS,9bS)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 420.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 207.9±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 56.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.36
ACD/KOC (pH 5.5): 542.28
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.36
ACD/KOC (pH 7.4): 542.28
Polar Surface Area: 36 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 165.3±3.0 cm3

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