ChemSpider 2D Image | 6-Bromo-2-oxo-2H-chromene-3-carbaldehyde | C10H5BrO3

6-Bromo-2-oxo-2H-chromene-3-carbaldehyde

  • Molecular FormulaC10H5BrO3
  • Average mass253.049 Da
  • Monoisotopic mass251.942200 Da
  • ChemSpider ID29326286

More details:

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

2H-1-Benzopyran-3-carboxaldehyde, 6-bromo-2-oxo- [ACD/Index Name]
6-Brom-2-oxo-2H-chromen-3-carbaldehyd [German] [ACD/IUPAC Name]
6-Bromo-2-oxo-2H-chromene-3-carbaldehyde [ACD/IUPAC Name]
6-Bromo-2-oxo-2H-chromène-3-carbaldéhyde [French] [ACD/IUPAC Name]
108734-14-1 [RN]
6-bromo-3-formylcoumarin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 432.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 215.0±28.7 °C
Index of Refraction: 1.713
Molar Refractivity: 54.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.23
ACD/KOC (pH 5.5): 350.83
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.23
ACD/KOC (pH 7.4): 350.83
Polar Surface Area: 43 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 137.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement