ChemSpider 2D Image | 4-Bromobenzyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate | C17H12Br2O3

4-Bromobenzyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate

  • Molecular FormulaC17H12Br2O3
  • Average mass424.083 Da
  • Monoisotopic mass421.915314 Da
  • ChemSpider ID21841633

More details:

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

2-Benzofurancarboxylic acid, 5-bromo-3-methyl-, (4-bromophenyl)methyl ester [ACD/Index Name]
4-Brombenzyl-5-brom-3-methyl-1-benzofuran-2-carboxylat [German] [ACD/IUPAC Name]
4-Bromobenzyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate [ACD/IUPAC Name]
5-Bromo-3-méthyl-1-benzofurane-2-carboxylate de 4-bromobenzyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 488.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 248.9±27.3 °C
Index of Refraction: 1.653
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23123.61
ACD/KOC (pH 5.5): 46278.22
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23123.61
ACD/KOC (pH 7.4): 46278.22
Polar Surface Area: 39 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 253.6±3.0 cm3

Click to predict properties on the Chemicalize site


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