ChemSpider 2D Image | Methyl 5-bromo-2-{[3-bromo-4-(2-phenylethoxy)benzoyl]oxy}benzoate | C23H18Br2O5

Methyl 5-bromo-2-{[3-bromo-4-(2-phenylethoxy)benzoyl]oxy}benzoate

  • Molecular FormulaC23H18Br2O5
  • Average mass534.194 Da
  • Monoisotopic mass531.952087 Da
  • ChemSpider ID12971093

More details:

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

5-Bromo-2-{[3-bromo-4-(2-phényléthoxy)benzoyl]oxy}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-bromo-2-[[3-bromo-4-(2-phenylethoxy)benzoyl]oxy]-, methyl ester [ACD/Index Name]
Methyl 5-bromo-2-{[3-bromo-4-(2-phenylethoxy)benzoyl]oxy}benzoate [ACD/IUPAC Name]
Methyl-5-brom-2-{[3-brom-4-(2-phenylethoxy)benzoyl]oxy}benzoat [German] [ACD/IUPAC Name]
METHYL 5-BROMO-2-[3-BROMO-4-(2-PHENYLETHOXY)BENZOYLOXY]BENZOATE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 617.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.1±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: 6.62
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 44721.32
ACD/KOC (pH 5.5): 74202.91
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 44721.32
ACD/KOC (pH 7.4): 74202.91
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

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