ChemSpider 2D Image | N-[(1R,2R)-1,3-Bis[(~2~H)hydroxy]-1-(4-nitrophenyl)-2-propanyl]-2,2-dichloro(N-~2~H)acetamide | C11H9D3Cl2N2O5

N-[(1R,2R)-1,3-Bis[(2H)hydroxy]-1-(4-nitrophenyl)-2-propanyl]-2,2-dichloro(N-2H)acetamide

  • Molecular FormulaC11H9D3Cl2N2O5
  • Average mass326.148 Da
  • Monoisotopic mass325.031158 Da
  • ChemSpider ID95636562

  • 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

Acetamide-d, 2,2-dichloro-N-[(1R,2R)-2-(hydroxy-d)-1-(hydroxy-d-methyl)-2-(4-nitrophenyl)ethyl]- [ACD/Index Name]
N-[(1R,2R)-1,3-Bis[(2H)hydroxy]-1-(4-nitrophenyl)-2-propanyl]-2,2-dichlor(N-2H)acetamid [German] [ACD/IUPAC Name]
N-[(1R,2R)-1,3-Bis[(2H)hydroxy]-1-(4-nitrophenyl)-2-propanyl]-2,2-dichloro(N-2H)acetamide [ACD/IUPAC Name]
N-[(1R,2R)-1,3-Bis[(2H)hydroxy]-1-(4-nitrophényl)-2-propanyl]-2,2-dichloro(N-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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