ChemSpider 2D Image | 2,2-dichloro-2-deuterio-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(2,3,5,6-tetradeuterio-4-nitro-phenyl)ethyl]acetamide | C11H7D5Cl2N2O5

2,2-dichloro-2-deuterio-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(2,3,5,6-tetradeuterio-4-nitro-phenyl)ethyl]acetamide

  • Molecular FormulaC11H7D5Cl2N2O5
  • Average mass328.160 Da
  • Monoisotopic mass327.043701 Da
  • ChemSpider ID58782235

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2,2-Dichlor-N-{(1R,2R)-1,3-dihydroxy-1-[4-nitro(2H4)phenyl]-2-propanyl}(2H)acetamid [German] [ACD/IUPAC Name]
2,2-Dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-nitro(2H4)phényl]-2-propanyl}(2H)acétamide [French] [ACD/IUPAC 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: 644.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 343.8±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 72.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 3.51
ACD/KOC (pH 5.5): 85.50
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.51
ACD/KOC (pH 7.4): 85.46
Polar Surface Area: 115 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 208.8±3.0 cm3

Click to predict properties on the Chemicalize site


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