ChemSpider 2D Image | Methyl 4-[(5Z)-5-(3-bromo-4-hydroxybenzylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]benzoate | C18H12BrNO6

Methyl 4-[(5Z)-5-(3-bromo-4-hydroxybenzylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]benzoate

  • Molecular FormulaC18H12BrNO6
  • Average mass418.195 Da
  • Monoisotopic mass416.984802 Da
  • ChemSpider ID28499743

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(5Z)-5-(3-Bromo-4-hydroxybenzylidène)-2,4-dioxo-1,3-oxazolidin-3-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(5Z)-5-[(3-bromo-4-hydroxyphenyl)methylene]-2,4-dioxo-3-oxazolidinyl]-, methyl ester [ACD/Index Name]
Methyl 4-[(5Z)-5-(3-bromo-4-hydroxybenzylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[(5Z)-5-(3-brom-4-hydroxybenzyliden)-2,4-dioxo-1,3-oxazolidin-3-yl]benzoat [German] [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: 536.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 278.2±32.9 °C
Index of Refraction: 1.697
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 284.53
ACD/KOC (pH 5.5): 1972.31
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 92.83
ACD/KOC (pH 7.4): 643.44
Polar Surface Area: 93 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 248.3±3.0 cm3

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