ChemSpider 2D Image | 6-Bromo-3-[2,5-dibromo-6-hydroxy-3-(hydroxymethyl)phenoxy]-4-(hydroxymethyl)-1,2-benzenediol | C14H11Br3O6

6-Bromo-3-[2,5-dibromo-6-hydroxy-3-(hydroxymethyl)phenoxy]-4-(hydroxymethyl)-1,2-benzenediol

  • Molecular FormulaC14H11Br3O6
  • Average mass514.945 Da
  • Monoisotopic mass511.810547 Da
  • ChemSpider ID8729267

More details:

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

1,2-Benzenediol, 6-bromo-3-[2,5-dibromo-6-hydroxy-3-(hydroxymethyl)phenoxy]-4-(hydroxymethyl)- [ACD/Index Name]
6-Brom-3-[2,5-dibrom-6-hydroxy-3-(hydroxymethyl)phenoxy]-4-(hydroxymethyl)-1,2-benzoldiol [German] [ACD/IUPAC Name]
6-Bromo-3-[2,5-dibromo-6-hydroxy-3-(hydroxymethyl)phenoxy]-4-(hydroxymethyl)-1,2-benzenediol [ACD/IUPAC Name]
6-Bromo-3-[2,5-dibromo-6-hydroxy-3-(hydroxyméthyl)phénoxy]-4-(hydroxyméthyl)-1,2-benzènediol [French] [ACD/IUPAC Name]
4-bromo-2, 3-dihydroxy-6-hydroxymethylphenyl 2, 5-dibromo-6-hydroxy-3-hydroxymethylphenyl ethe
6-bromo-3-[2,5-dibromo-6-hydroxy-3-(hydroxymethyl)phenoxy]-4-(hydroxymethyl)benzene-1,2-diol
bisezakyne-B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL491351/

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

Density: 2.2±0.1 g/cm3
Boiling Point: 533.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 276.1±30.1 °C
Index of Refraction: 1.750
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 97.62
ACD/KOC (pH 5.5): 853.66
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 18.01
Polar Surface Area: 110 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 84.6±3.0 dyne/cm
Molar Volume: 231.5±3.0 cm3

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