ChemSpider 2D Image | 1-(2-Chloroethyl)-3-[(1R,4R)-4-hydroxy(1,2,2,3,3,4,5,6,6-~2~H_9_)cyclohexyl]-1-nitrosourea | C9H7D9ClN3O3

1-(2-Chloroethyl)-3-[(1R,4R)-4-hydroxy(1,2,2,3,3,4,5,6,6-2H9)cyclohexyl]-1-nitrosourea

  • Molecular FormulaC9H7D9ClN3O3
  • Average mass258.750 Da
  • Monoisotopic mass258.144501 Da
  • ChemSpider ID107444221

  • 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

1-(2-Chlorethyl)-3-[(1R,4R)-4-hydroxy(1,2,2,3,3,4,5,6,6-2H9)cyclohexyl]-1-nitrosoharnstoff [German] [ACD/IUPAC Name]
1-(2-Chloroethyl)-3-[(1R,4R)-4-hydroxy(1,2,2,3,3,4,5,6,6-2H9)cyclohexyl]-1-nitrosourea [ACD/IUPAC Name]
1-(2-Chloroéthyl)-3-[(1R,4R)-4-hydroxy(1,2,2,3,3,4,5,6,6-2H9)cyclohexyl]-1-nitrosourée [French] [ACD/IUPAC Name]
Urea, N-(2-chloroethyl)-N'-[(1R,4R)-4-hydroxycyclohexyl-1,2,2,3,3,4,5,6,6-d9]-N-nitroso- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 58.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.21
ACD/KOC (pH 5.5): 97.45
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 4.21
ACD/KOC (pH 7.4): 97.38
Polar Surface Area: 82 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 170.4±7.0 cm3

Click to predict properties on the Chemicalize site


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