ChemSpider 2D Image | 1-[1-(3-Nitrophenyl)ethyl]-3-(4,4,4-trifluoro-3-hydroxybutyl)urea | C13H16F3N3O4

1-[1-(3-Nitrophenyl)ethyl]-3-(4,4,4-trifluoro-3-hydroxybutyl)urea

  • Molecular FormulaC13H16F3N3O4
  • Average mass335.279 Da
  • Monoisotopic mass335.109283 Da
  • ChemSpider ID30234157

More details:

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

1-[1-(3-Nitrophenyl)ethyl]-3-(4,4,4-trifluor-3-hydroxybutyl)harnstoff [German] [ACD/IUPAC Name]
1-[1-(3-Nitrophenyl)ethyl]-3-(4,4,4-trifluoro-3-hydroxybutyl)urea [ACD/IUPAC Name]
1-[1-(3-Nitrophényl)éthyl]-3-(4,4,4-trifluoro-3-hydroxybutyl)urée [French] [ACD/IUPAC Name]
Urea, N-[1-(3-nitrophenyl)ethyl]-N'-(4,4,4-trifluoro-3-hydroxybutyl)- [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: 534.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 276.7±30.1 °C
Index of Refraction: 1.518
Molar Refractivity: 74.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.24
ACD/KOC (pH 5.5): 209.03
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.24
ACD/KOC (pH 7.4): 209.02
Polar Surface Area: 107 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 246.4±3.0 cm3

Click to predict properties on the Chemicalize site


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