ChemSpider 2D Image | 3-({4-[(5S)-5-(Methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy}methyl)benzonitrile | C19H18N2O4

3-({4-[(5S)-5-(Methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy}methyl)benzonitrile

  • Molecular FormulaC19H18N2O4
  • Average mass338.357 Da
  • Monoisotopic mass338.126648 Da
  • ChemSpider ID21246029

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-({4-[(5S)-5-(Methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy}methyl)benzonitril [German] [ACD/IUPAC Name]
3-({4-[(5S)-5-(Methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy}methyl)benzonitrile [ACD/IUPAC Name]
3-({4-[(5S)-5-(Méthoxyméthyl)-2-oxo-1,3-oxazolidin-3-yl]phénoxy}méthyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[[4-[(5S)-5-(methoxymethyl)-2-oxo-3-oxazolidinyl]phenoxy]methyl]- [ACD/Index Name]
277-613-7 [EINECS]
73422-40-9 [RN]
73815-11-9 [RN]
Cimoxatone [INN]
UNII-V6FT1QJ7VL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 509.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.8±25.9 °C
Index of Refraction: 1.614
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 69.36
ACD/KOC (pH 5.5): 723.54
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 69.36
ACD/KOC (pH 7.4): 723.54
Polar Surface Area: 72 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 261.1±5.0 cm3

Click to predict properties on the Chemicalize site


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