ChemSpider 2D Image | 2-Hydroxy-5-[(4-oxo-3-sulfonato-2,5-cyclohexadien-1-ylidene)(2,3,4,5-tetrabromo-6-carboxyphenyl)methyl]benzenesulfonate | C20H8Br4O10S2

2-Hydroxy-5-[(4-oxo-3-sulfonato-2,5-cyclohexadien-1-ylidene)(2,3,4,5-tetrabromo-6-carboxyphenyl)methyl]benzenesulfonate

  • Molecular FormulaC20H8Br4O10S2
  • Average mass792.019 Da
  • Monoisotopic mass787.630310 Da
  • ChemSpider ID3331078

  • Charge - Charge

More details:

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

2-Hydroxy-5-[(4-oxo-3-sulfonato-2,5-cyclohexadien-1-yliden)(2,3,4,5-tetrabrom-6-carboxyphenyl)methyl]benzolsulfonat [German] [ACD/IUPAC Name]
2-Hydroxy-5-[(4-oxo-3-sulfonato-2,5-cyclohexadien-1-ylidene)(2,3,4,5-tetrabromo-6-carboxyphenyl)methyl]benzenesulfonate [ACD/IUPAC Name]
2-Hydroxy-5-[(4-oxo-3-sulfonato-2,5-cyclohexadién-1-ylidène)(2,3,4,5-tétrabromo-6-carboxyphényl)méthyl]benzènesulfonate [French] [ACD/IUPAC Name]
Benzoic acid, 2,3,4,5-tetrabromo-6-[(4-hydroxy-3-sulfophenyl)(4-oxo-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]-, ion(2-) [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: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.34
ACD/LogD (pH 5.5): -2.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability:
Surface Tension:
Molar Volume:

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