ChemSpider 2D Image | 2-[(3,5-Dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid | C21H14Br4O5S

2-[(3,5-Dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid

  • Molecular FormulaC21H14Br4O5S
  • Average mass698.014 Da
  • Monoisotopic mass693.729492 Da
  • ChemSpider ID2006014

More details:

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

2-[(3,5-Dibrom-4-hydroxy-2-methylphenyl)(3,5-dibrom-2-methyl-4-oxo-2,5-cyclohexadien-1-yliden)methyl]benzolsulfonsäure [German] [ACD/IUPAC Name]
2-[(3,5-Dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid [ACD/IUPAC Name]
Acide 2-[(3,5-dibromo-4-hydroxy-2-méthylphényl)(3,5-dibromo-2-méthyl-4-oxo-2,5-cyclohexadién-1-ylidène)méthyl]benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-[(3,5-dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.718
Molar Refractivity: 132.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.52
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 336.3±3.0 cm3

Click to predict properties on the Chemicalize site


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