ChemSpider 2D Image | (4R)-4-[(4R,5R)-5-(4-Bromophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one | C14H16BrNO4

(4R)-4-[(4R,5R)-5-(4-Bromophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one

  • Molecular FormulaC14H16BrNO4
  • Average mass342.185 Da
  • Monoisotopic mass341.026276 Da
  • ChemSpider ID30651787

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R)-4-[(4R,5R)-5-(4-Bromophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4R)-4-[(4R,5R)-5-(4-Bromophényl)-2,2-diméthyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
(4R)-4-[(4R,5R)-5-(4-Bromphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
2-Oxazolidinone, 4-[(4R,5R)-5-(4-bromophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-, (4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 505.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.3±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 109.10
ACD/KOC (pH 5.5): 1000.66
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 109.10
ACD/KOC (pH 7.4): 1000.63
Polar Surface Area: 57 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 235.5±3.0 cm3

Click to predict properties on the Chemicalize site


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