ChemSpider 2D Image | 2-[(3-Bromo-4-hydroxy-5-isopropyl-2-methylphenyl)(3-bromo-5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid | C27H28Br2O5S

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

  • Molecular FormulaC27H28Br2O5S
  • Average mass624.381 Da
  • Monoisotopic mass622.002380 Da
  • ChemSpider ID106092

More details:

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

2-[(3-Brom-4-hydroxy-5-isopropyl-2-methylphenyl)(3-brom-5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-yliden)methyl]benzolsulfonsäure [German] [ACD/IUPAC Name]
2-[(3-Bromo-4-hydroxy-5-isopropyl-2-methylphenyl)(3-bromo-5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid [ACD/IUPAC Name]
Acide 2-[(3-bromo-4-hydroxy-5-isopropyl-2-méthylphényl)(3-bromo-5-isopropyl-2-méthyl-4-oxo-2,5-cyclohexadién-1-ylidène)méthyl]benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-[[3-bromo-4-hydroxy-2-methyl-5-(1-methylethyl)phenyl][3-bromo-2-methyl-5-(1-methylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]methyl]- [ACD/Index Name]
34722-90-2 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 5.83
ACD/KOC (pH 5.5): 12.45
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 5.59
ACD/KOC (pH 7.4): 11.94
Polar Surface Area: 100 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 408.0±3.0 cm3

Click to predict properties on the Chemicalize site


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