ChemSpider 2D Image | 2,3,4,5-Tetrabromo-6-[(E)-(4-hydroxy-3-sulfophenyl)(4-oxo-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]benzoic acid | C20H10Br4O10S2

2,3,4,5-Tetrabromo-6-[(E)-(4-hydroxy-3-sulfophenyl)(4-oxo-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]benzoic acid

  • Molecular FormulaC20H10Br4O10S2
  • Average mass794.033 Da
  • Monoisotopic mass789.644836 Da
  • ChemSpider ID22900885
  • Double-bond stereo - Double-bond stereo


More details:






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

2,3,4,5-Tetrabrom-6-[(E)-(4-hydroxy-3-sulfophenyl)(4-oxo-3-sulfo-2,5-cyclohexadien-1-yliden)methyl]benzoesäure [German] [ACD/IUPAC Name]
2,3,4,5-Tetrabromo-6-[(E)-(4-hydroxy-3-sulfophenyl)(4-oxo-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]benzoic acid [ACD/IUPAC Name]
Acide 2,3,4,5-tétrabromo-6-[(E)-(4-hydroxy-3-sulfophényl)(4-oxo-3-sulfo-2,5-cyclohexadién-1-ylidène)méthyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,3,4,5-tetrabromo-6-[(E)-(4-hydroxy-3-sulfophenyl)(4-oxo-3-sulfo-2,5-cyclohexadien-1-ylidene)methyl]- [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.857
Molar Refractivity: 140.4±0.4 cm3
#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): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 130.7±5.0 dyne/cm
Molar Volume: 312.5±5.0 cm3

Click to predict properties on the Chemicalize site






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