ChemSpider 2D Image | 1-(3-Nitrophenyl)-3-(2,2,2-trifluoroethyl)urea | C9H8F3N3O3

1-(3-Nitrophenyl)-3-(2,2,2-trifluoroethyl)urea

  • Molecular FormulaC9H8F3N3O3
  • Average mass263.173 Da
  • Monoisotopic mass263.051788 Da
  • ChemSpider ID34455279

More details:

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

1-(3-Nitrophenyl)-3-(2,2,2-trifluorethyl)harnstoff [German] [ACD/IUPAC Name]
1-(3-Nitrophenyl)-3-(2,2,2-trifluoroethyl)urea [ACD/IUPAC Name]
1-(3-Nitrophényl)-3-(2,2,2-trifluoroéthyl)urée [French] [ACD/IUPAC Name]
Urea, N-(3-nitrophenyl)-N'-(2,2,2-trifluoroethyl)- [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: 302.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.3±3.0 kJ/mol
Flash Point: 137.0±27.9 °C
Index of Refraction: 1.546
Molar Refractivity: 55.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.20
ACD/KOC (pH 5.5): 350.57
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.16
ACD/KOC (pH 7.4): 350.02
Polar Surface Area: 87 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 176.1±3.0 cm3

Click to predict properties on the Chemicalize site


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