ChemSpider 2D Image | 6-Bromo-3-(3-bromo-4-hydroxybenzyl)-4-(methoxymethyl)-1,2-benzenediol | C15H14Br2O4

6-Bromo-3-(3-bromo-4-hydroxybenzyl)-4-(methoxymethyl)-1,2-benzenediol

  • Molecular FormulaC15H14Br2O4
  • Average mass418.077 Da
  • Monoisotopic mass415.925873 Da
  • ChemSpider ID23327277

More details:

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

1,2-Benzenediol, 6-bromo-3-[(3-bromo-4-hydroxyphenyl)methyl]-4-(methoxymethyl)- [ACD/Index Name]
6-Brom-3-(3-brom-4-hydroxybenzyl)-4-(methoxymethyl)-1,2-benzoldiol [German] [ACD/IUPAC Name]
6-Bromo-3-(3-bromo-4-hydroxybenzyl)-4-(methoxymethyl)-1,2-benzenediol [ACD/IUPAC Name]
6-Bromo-3-(3-bromo-4-hydroxybenzyl)-4-(méthoxyméthyl)-1,2-benzènediol [French] [ACD/IUPAC Name]
6-bromo-3-(3-bromo-4-hydroxybenzyl)-4-(methoxymethyl)benzene-1,2-diol
avrainvilleol methyl ether
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460435/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 494.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 252.8±27.3 °C
Index of Refraction: 1.669
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 698.78
ACD/KOC (pH 5.5): 3777.25
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 554.59
ACD/KOC (pH 7.4): 2997.83
Polar Surface Area: 70 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 235.7±3.0 cm3

Click to predict properties on the Chemicalize site


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