ChemSpider 2D Image | (2-bromo-3,4,5-trimethoxy-phenyl)methyl 4-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate | C19H18Br2O8

(2-bromo-3,4,5-trimethoxy-phenyl)methyl 4-bromo-7-methoxy-1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC19H18Br2O8
  • Average mass534.149 Da
  • Monoisotopic mass531.936829 Da
  • ChemSpider ID21127803

More details:

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

2-Brom-3,4,5-trimethoxybenzyl-4-brom-7-methoxy-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC Name]
4-Bromo-7-méthoxy-1,3-benzodioxole-5-carboxylate de 2-bromo-3,4,5-triméthoxybenzyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 568.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.6±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 110.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 949.57
ACD/KOC (pH 5.5): 4708.82
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 949.57
ACD/KOC (pH 7.4): 4708.82
Polar Surface Area: 82 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 327.6±3.0 cm3

Click to predict properties on the Chemicalize site


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