ChemSpider 2D Image | 1-(4-ethynylphenyl)-3-(4-nitrophenyl)urea | C15H11N3O3

1-(4-ethynylphenyl)-3-(4-nitrophenyl)urea

  • Molecular FormulaC15H11N3O3
  • Average mass281.266 Da
  • Monoisotopic mass281.080048 Da
  • ChemSpider ID21150635

More details:

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

1-(4-ethynylphenyl)-3-(4-nitrophenyl) urea

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

Density: 1.4±0.1 g/cm3
Boiling Point: 367.8±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 176.2±23.7 °C
Index of Refraction: 1.658
Molar Refractivity: 76.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 178.37
ACD/KOC (pH 5.5): 1422.64
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 178.36
ACD/KOC (pH 7.4): 1422.57
Polar Surface Area: 87 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 207.9±5.0 cm3

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