ChemSpider 2D Image | 1-Ethyl-3-(2-methoxy-5-nitrophenyl)-1-(3,3,3-trifluoropropyl)urea | C13H16F3N3O4

1-Ethyl-3-(2-methoxy-5-nitrophenyl)-1-(3,3,3-trifluoropropyl)urea

  • Molecular FormulaC13H16F3N3O4
  • Average mass335.279 Da
  • Monoisotopic mass335.109283 Da
  • ChemSpider ID30331799

More details:

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

1-Ethyl-3-(2-methoxy-5-nitrophenyl)-1-(3,3,3-trifluoropropyl)urea [ACD/IUPAC Name]
1-Éthyl-3-(2-méthoxy-5-nitrophényl)-1-(3,3,3-trifluoropropyl)urée [French] [ACD/IUPAC Name]
1-Ethyl-3-(2-methoxy-5-nitrophenyl)-1-(3,3,3-trifluorpropyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-ethyl-N'-(2-methoxy-5-nitrophenyl)-N-(3,3,3-trifluoropropyl)- [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: 459.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.9±28.7 °C
Index of Refraction: 1.529
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 98.17
ACD/KOC (pH 5.5): 927.82
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 98.16
ACD/KOC (pH 7.4): 927.77
Polar Surface Area: 87 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 248.0±3.0 cm3

Click to predict properties on the Chemicalize site


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