ChemSpider 2D Image | (4S)-4-Benzyl-3-[(2S)-3,3,3-trichloro-2-methylpropanoyl]-1,3-oxazolidin-2-one | C14H14Cl3NO3

(4S)-4-Benzyl-3-[(2S)-3,3,3-trichloro-2-methylpropanoyl]-1,3-oxazolidin-2-one

  • Molecular FormulaC14H14Cl3NO3
  • Average mass350.625 Da
  • Monoisotopic mass349.003937 Da
  • ChemSpider ID30660084

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-Benzyl-3-[(2S)-3,3,3-trichlor-2-methylpropanoyl]-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-4-Benzyl-3-[(2S)-3,3,3-trichloro-2-methylpropanoyl]-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-4-Benzyl-3-[(2S)-3,3,3-trichloro-2-méthylpropanoyl]-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 4-(phenylmethyl)-3-[(2S)-3,3,3-trichloro-2-methyl-1-oxopropyl]-, (4S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 450.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.4±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 81.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 307.17
ACD/KOC (pH 5.5): 2099.26
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 307.17
ACD/KOC (pH 7.4): 2099.26
Polar Surface Area: 47 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 244.5±3.0 cm3

Click to predict properties on the Chemicalize site


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