ChemSpider 2D Image | 3-(Dibromomethyl)-1,8-dihydroxy-6-methoxy-9,10-anthraquinone | C16H10Br2O5

3-(Dibromomethyl)-1,8-dihydroxy-6-methoxy-9,10-anthraquinone

  • Molecular FormulaC16H10Br2O5
  • Average mass442.056 Da
  • Monoisotopic mass439.889496 Da
  • ChemSpider ID23137140

More details:

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

3-(Dibrommethyl)-1,8-dihydroxy-6-methoxy-9,10-anthrachinon [German] [ACD/IUPAC Name]
3-(Dibromomethyl)-1,8-dihydroxy-6-methoxy-9,10-anthraquinone [ACD/IUPAC Name]
3-(Dibromométhyl)-1,8-dihydroxy-6-méthoxy-9,10-anthraquinone [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 3-(dibromomethyl)-1,8-dihydroxy-6-methoxy- [ACD/Index Name]
3-Dibromomethyl-1,8-dihydroxy-6-methoxy-anthraquinone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL288127/

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

Density: 2.0±0.1 g/cm3
Boiling Point: 637.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 339.2±31.5 °C
Index of Refraction: 1.734
Molar Refractivity: 89.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 2830.82
ACD/KOC (pH 5.5): 8486.05
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 9.21
ACD/KOC (pH 7.4): 27.62
Polar Surface Area: 84 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 79.0±3.0 dyne/cm
Molar Volume: 223.4±3.0 cm3

Click to predict properties on the Chemicalize site


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