ChemSpider 2D Image | (5R)-3-(Chloroacetyl)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one | C12H13ClN2O3

(5R)-3-(Chloroacetyl)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one

  • Molecular FormulaC12H13ClN2O3
  • Average mass268.696 Da
  • Monoisotopic mass268.061462 Da
  • ChemSpider ID30656775

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-3-(2-Chloroacétyl)-4-méthyl-5-phényl-1,3,4-oxadiazinan-2-one [French] [ACD/IUPAC Name]
(5R)-3-(Chloracetyl)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-on [German] [ACD/IUPAC Name]
(5R)-3-(Chloroacetyl)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one [ACD/IUPAC Name]
2H-1,3,4-Oxadiazin-2-one, 3-(2-chloroacetyl)tetrahydro-4-methyl-5-phenyl-, (5R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 367.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 175.8±30.7 °C
Index of Refraction: 1.563
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.12
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.11
ACD/KOC (pH 5.5): 111.83
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.11
ACD/KOC (pH 7.4): 111.83
Polar Surface Area: 50 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 202.9±3.0 cm3

Click to predict properties on the Chemicalize site


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