ChemSpider 2D Image | 4-(2-Bromo-4,5-dimethoxyphenyl)-4-hydroxybutanoic acid | C12H15BrO5

4-(2-Bromo-4,5-dimethoxyphenyl)-4-hydroxybutanoic acid

  • Molecular FormulaC12H15BrO5
  • Average mass319.148 Da
  • Monoisotopic mass318.010284 Da
  • ChemSpider ID33262644

More details:

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

4-(2-Brom-4,5-dimethoxyphenyl)-4-hydroxybutansäure [German] [ACD/IUPAC Name]
4-(2-Bromo-4,5-dimethoxyphenyl)-4-hydroxybutanoic acid [ACD/IUPAC Name]
Acide 4-(2-bromo-4,5-diméthoxyphényl)-4-hydroxybutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 2-bromo-γ-hydroxy-4,5-dimethoxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 470.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 238.3±28.7 °C
Index of Refraction: 1.566
Molar Refractivity: 69.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 23.25
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 212.3±3.0 cm3

Click to predict properties on the Chemicalize site


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