ChemSpider 2D Image | 2-[(3,5-Dibromo-4-hydroxy-2-methylphenyl)(3,5-dibromo-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate | C21H13Br4O5S

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

  • Molecular FormulaC21H13Br4O5S
  • Average mass697.006 Da
  • Monoisotopic mass692.722229 Da
  • ChemSpider ID3115713

  • Charge - Charge

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]benzolsulfonat [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]benzenesulfonate [ACD/IUPAC Name]
2-[(3,5-Dibromo-4-hydroxy-2-méthylphényl)(3,5-dibromo-2-méthyl-4-oxo-2,5-cyclohexadién-1-ylidène)méthyl]benzènesulfonate [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]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#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: 103 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement