Found 5 results

Search term: CCEJPIYBVGYGEM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4S)-4-{[4-Nitro(~2~H_4_)phenyl]methyl}(5,5-~2~H_2_)-1,3-oxazolidin-2-one | C10H4D6N2O4

(4S)-4-{[4-Nitro(2H4)phenyl]methyl}(5,5-2H2)-1,3-oxazolidin-2-one

  • Molecular FormulaC10H4D6N2O4
  • Average mass228.234 Da
  • Monoisotopic mass228.101715 Da
  • ChemSpider ID107444953

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S)-4-{[4-Nitro(2H4)phenyl]methyl}(5,5-2H2)-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-4-{[4-Nitro(2H4)phenyl]methyl}(5,5-2H2)-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-4-{[4-Nitro(2H4)phényl]méthyl}(5,5-2H2)-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone-5,5-d2, 4-[(4-nitrophenyl-2,3,5,6-d4)methyl]-, (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: 509.5±19.0 °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: 261.9±21.5 °C
Index of Refraction: 1.588
Molar Refractivity: 54.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.16
ACD/KOC (pH 5.5): 208.10
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.16
ACD/KOC (pH 7.4): 208.10
Polar Surface Area: 84 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 162.4±3.0 cm3

Click to predict properties on the Chemicalize site


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