ChemSpider 2D Image | Methyl 2-bromo-3-(1,3-dioxolan-2-yl)benzoate | C11H11BrO4

Methyl 2-bromo-3-(1,3-dioxolan-2-yl)benzoate

  • Molecular FormulaC11H11BrO4
  • Average mass287.107 Da
  • Monoisotopic mass285.984070 Da
  • ChemSpider ID27457043

More details:

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

1269411-36-0 [RN]
2-Bromo-3-(1,3-dioxolan-2-yl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-bromo-3-(1,3-dioxolan-2-yl)-, methyl ester [ACD/Index Name]
Methyl 2-bromo-3-(1,3-dioxolan-2-yl)benzoate [ACD/IUPAC Name]
Methyl-2-brom-3-(1,3-dioxolan-2-yl)benzoat [German] [ACD/IUPAC Name]
[1269411-36-0] [RN]
MFCD18206368 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 345.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 162.5±27.9 °C
Index of Refraction: 1.558
Molar Refractivity: 61.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.37
ACD/KOC (pH 5.5): 362.14
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.37
ACD/KOC (pH 7.4): 362.14
Polar Surface Area: 45 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 189.1±3.0 cm3

Click to predict properties on the Chemicalize site


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