ChemSpider 2D Image | 3-[1-(2-Chloro-6-fluorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea | C16H19ClFN3O2

3-[1-(2-Chloro-6-fluorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

  • Molecular FormulaC16H19ClFN3O2
  • Average mass339.792 Da
  • Monoisotopic mass339.114990 Da
  • ChemSpider ID30451482

More details:

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

3-[1-(2-Chlor-6-fluorphenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylharnstoff [German] [ACD/IUPAC Name]
3-[1-(2-Chloro-6-fluorophenyl)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea [ACD/IUPAC Name]
3-[1-(2-Chloro-6-fluorophényl)éthyl]-1-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-1-méthylurée [French] [ACD/IUPAC Name]
Urea, N'-[1-(2-chloro-6-fluorophenyl)ethyl]-N-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.2±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 86.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 78.15
ACD/KOC (pH 5.5): 788.06
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 78.14
ACD/KOC (pH 7.4): 788.02
Polar Surface Area: 58 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 271.1±3.0 cm3

Click to predict properties on the Chemicalize site


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