ChemSpider 2D Image | spongiadioxin B | C12H4Br4O3

spongiadioxin B

  • Molecular FormulaC12H4Br4O3
  • Average mass515.774 Da
  • Monoisotopic mass511.689362 Da
  • ChemSpider ID8634591

More details:

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

2,3,6,8-Tetrabrom-1-oxanthrenol [German] [ACD/IUPAC Name]
2,3,6,8-Tetrabromo-1-oxanthrenol [ACD/IUPAC Name]
2,3,6,8-Tétrabromo-1-oxanthrénol [French] [ACD/IUPAC Name]
Dibenzo[b,e][1,4]dioxin-1-ol, 2,3,6,8-tetrabromo- [ACD/Index Name]
spongiadioxin B
2,3,6,8-tetrabromooxanthren-1-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL470276/

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

Density: 2.4±0.1 g/cm3
Boiling Point: 470.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 238.5±28.7 °C
Index of Refraction: 1.738
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 62237.16
ACD/KOC (pH 5.5): 78706.03
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 1740.68
ACD/KOC (pH 7.4): 2201.28
Polar Surface Area: 39 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 211.3±3.0 cm3

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