ChemSpider 2D Image | pentabromo-tetrahydroxydibenzyl ether | C14H9Br5O5

pentabromo-tetrahydroxydibenzyl ether

  • Molecular FormulaC14H9Br5O5
  • Average mass656.738 Da
  • Monoisotopic mass651.636658 Da
  • ChemSpider ID10480688

More details:

Featured data source
Natural Product Updates

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

1,2-Benzenediol, 3,4,6-tribromo-5-[[(2,6-dibromo-3,4-dihydroxyphenyl)methoxy]methyl]- [ACD/Index Name]
3,4,6-Tribrom-5-{[(2,6-dibrom-3,4-dihydroxybenzyl)oxy]methyl}-1,2-benzoldiol [German] [ACD/IUPAC Name]
3,4,6-Tribromo-5-{[(2,6-dibromo-3,4-dihydroxybenzyl)oxy]methyl}-1,2-benzenediol [ACD/IUPAC Name]
3,4,6-Tribromo-5-{[(2,6-dibromo-3,4-dihydroxybenzyl)oxy]méthyl}-1,2-benzènediol [French] [ACD/IUPAC Name]
pentabromo-tetrahydroxydibenzyl ether
2,2',3,6,6'-pentabromo-3',4,4',5-tetra-hydroxydibenzyl ether
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463334/

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

Density: 2.5±0.1 g/cm3
Boiling Point: 584.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 307.1±28.7 °C
Index of Refraction: 1.754
Molar Refractivity: 108.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.93
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 212475.17
ACD/KOC (pH 5.5): 205659.83
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 3898.64
ACD/KOC (pH 7.4): 3773.59
Polar Surface Area: 90 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 79.5±3.0 dyne/cm
Molar Volume: 264.0±3.0 cm3

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