ChemSpider 2D Image | 2-(4-Bromophenyl)-2-oxoethyl 3-(benzyloxy)-5-bromo-4-methoxybenzoate | C23H18Br2O5

2-(4-Bromophenyl)-2-oxoethyl 3-(benzyloxy)-5-bromo-4-methoxybenzoate

  • Molecular FormulaC23H18Br2O5
  • Average mass534.194 Da
  • Monoisotopic mass531.952087 Da
  • ChemSpider ID79900740

More details:

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

2-(4-Bromophenyl)-2-oxoethyl 3-(benzyloxy)-5-bromo-4-methoxybenzoate [ACD/IUPAC Name]
2-(4-Bromphenyl)-2-oxoethyl-3-(benzyloxy)-5-brom-4-methoxybenzoat [German] [ACD/IUPAC Name]
3-(Benzyloxy)-5-bromo-4-méthoxybenzoate de 2-(4-bromophényl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-methoxy-5-(phenylmethoxy)-, 2-(4-bromophenyl)-2-oxoethyl ester [ACD/Index 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: 639.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.8±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 120.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29041.17
ACD/KOC (pH 5.5): 54476.59
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29041.17
ACD/KOC (pH 7.4): 54476.59
Polar Surface Area: 62 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 344.3±3.0 cm3

Click to predict properties on the Chemicalize site


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