ChemSpider 2D Image | 2-[(3-Bromo-2,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)(3-bromo-4-hydroxy-2,5-dimethylphenyl)methyl]benzenesulfonic acid | C23H20Br2O5S

2-[(3-Bromo-2,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)(3-bromo-4-hydroxy-2,5-dimethylphenyl)methyl]benzenesulfonic acid

  • Molecular FormulaC23H20Br2O5S
  • Average mass568.275 Da
  • Monoisotopic mass565.939819 Da
  • ChemSpider ID3383082

More details:

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

2-[(3-Brom-2,5-dimethyl-4-oxo-2,5-cyclohexadien-1-yliden)(3-brom-4-hydroxy-2,5-dimethylphenyl)methyl]benzolsulfonsäure [German] [ACD/IUPAC Name]
2-[(3-Bromo-2,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)(3-bromo-4-hydroxy-2,5-dimethylphenyl)methyl]benzenesulfonic acid [ACD/IUPAC Name]
Acide 2-[(3-bromo-2,5-diméthyl-4-oxo-2,5-cyclohexadién-1-ylidène)(3-bromo-4-hydroxy-2,5-diméthylphényl)méthyl]benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-[(3-bromo-2,5-dimethyl-4-oxo-2,5-cyclohexadien-1-ylidene)(3-bromo-4-hydroxy-2,5-dimethylphenyl)methyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.70
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 100 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 342.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement