ChemSpider 2D Image | 2-[(3-Bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid | C21H16Br2O5S

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

  • Molecular FormulaC21H16Br2O5S
  • Average mass540.222 Da
  • Monoisotopic mass537.908508 Da
  • ChemSpider ID192200

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]benzolsulfonsäure [German] [ACD/IUPAC Name]
2-[(3-Bromo-4-hydroxy-5-methylphenyl)(3-bromo-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid [ACD/IUPAC Name]
Acide 2-[(3-bromo-4-hydroxy-5-méthylphényl)(3-bromo-5-méthyl-4-oxo-2,5-cyclohexadién-1-ylidène)méthyl]benzènesulfonique [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]- [ACD/Index Name]
Benzenesulfonic acid, 2-[ (5-bromo-4-hydroxy-3-methylphenyl)(3-bromo-5-methyl-4-oxo-2, 5-cyclohexadien-1-ylidene)methyl]-
o-Toluenesulfonic acid, α- (5-bromo-4-hydroxy-m-tolyl)-α-(3-bromo-5-methyl-4-ox o-2,5-cyclohexadien-1-ylidene)-

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

CBDivE_003007 [DBID]
NSC6244 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 117.3±0.4 cm3
#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: 100 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 307.8±3.0 cm3

Click to predict properties on the Chemicalize site






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