ChemSpider 2D Image | 4,4,4-Trichloro-3-[(E)-(4-nitrobenzylidene)amino]-1-(4-nitrophenyl)-1-butanone | C17H12Cl3N3O5

4,4,4-Trichloro-3-[(E)-(4-nitrobenzylidene)amino]-1-(4-nitrophenyl)-1-butanone

  • Molecular FormulaC17H12Cl3N3O5
  • Average mass444.653 Da
  • Monoisotopic mass442.984253 Da
  • ChemSpider ID22938220
  • Double-bond stereo - Double-bond stereo


More details:






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

1-Butanone, 4,4,4-trichloro-1-(4-nitrophenyl)-3-[[(1E)-(4-nitrophenyl)methylene]amino]- [ACD/Index Name]
4,4,4-Trichlor-3-[(E)-(4-nitrobenzyliden)amino]-1-(4-nitrophenyl)-1-butanon [German] [ACD/IUPAC Name]
4,4,4-Trichloro-3-[(E)-(4-nitrobenzylidene)amino]-1-(4-nitrophenyl)-1-butanone [ACD/IUPAC Name]
4,4,4-Trichloro-3-[(E)-(4-nitrobenzylidène)amino]-1-(4-nitrophényl)-1-butanone [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 568.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.3±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 105.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5808.68
ACD/KOC (pH 5.5): 17215.44
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5808.70
ACD/KOC (pH 7.4): 17215.49
Polar Surface Area: 121 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 295.1±7.0 cm3

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