ChemSpider 2D Image | 4-{[3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenyl]amino}-4-oxobutanoic acid | C19H19Br2NO5

4-{[3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenyl]amino}-4-oxobutanoic acid

  • Molecular FormulaC19H19Br2NO5
  • Average mass501.166 Da
  • Monoisotopic mass498.962982 Da
  • ChemSpider ID8339507

More details:

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

4-{[3,5-Dibrom-4-(4-hydroxy-3-isopropylphenoxy)phenyl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
4-{[3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)phenyl]amino}-4-oxobutanoic acid [ACD/IUPAC Name]
Acide 4-{[3,5-dibromo-4-(4-hydroxy-3-isopropylphénoxy)phényl]amino}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[3,5-dibromo-4-[4-hydroxy-3-(1-methylethyl)phenoxy]phenyl]amino]-4-oxo- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 607.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.2±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 147.58
ACD/KOC (pH 5.5): 590.28
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 9.41
Polar Surface Area: 96 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 301.6±3.0 cm3

Click to predict properties on the Chemicalize site


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