ChemSpider 2D Image | 8-(2-bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin | C16H19BrO4

8-(2-bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin

  • Molecular FormulaC16H19BrO4
  • Average mass355.224 Da
  • Monoisotopic mass354.046661 Da
  • ChemSpider ID21107447

More details:

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

2H-1-Benzopyran-2-one, 8-(2-bromo-3-methoxy-3-methylbutyl)-7-methoxy- [ACD/Index Name]
8-(2-Brom-3-methoxy-3-methylbutyl)-7-methoxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
8-(2-Bromo-3-methoxy-3-methylbutyl)-7-methoxy-2H-chromen-2-one [ACD/IUPAC Name]
8-(2-Bromo-3-méthoxy-3-méthylbutyl)-7-méthoxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
8-(2-bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 468.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 236.8±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 83.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 416.57
ACD/KOC (pH 5.5): 2610.82
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 416.57
ACD/KOC (pH 7.4): 2610.82
Polar Surface Area: 45 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 259.9±3.0 cm3

Click to predict properties on the Chemicalize site


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