ChemSpider 2D Image | 2-[(3-Bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate | C21H15Br2O5S


  • Molecular FormulaC21H15Br2O5S
  • Average mass539.214 Da
  • Monoisotopic mass536.901245 Da
  • ChemSpider ID2827913
  • Charge - Charge

More details:

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

2-[(3-Brom-4-hydroxy-5-methylphenyl)(3-brom-5-methyl-4-oxo-2,5-cyclohexadien-1-yliden)methyl]benzolsulfonat [German] [ACD/IUPAC Name]
2-[(3-Bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate [ACD/IUPAC Name]
2-[(3-Bromo-4-hydroxy-5-méthylphényl)(3-bromo-5-méthyl-4-oxo-2,5-cyclohexadién-1-ylidène)méthyl]benzènesulfonate [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-[(3-bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-, ion(1-) [ACD/Index Name]

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

ZINC04256508 [DBID]
ZINC04261928 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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: 1
ACD/LogP: 4.40
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site