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ChemSpider 2D Image | (2Z)-4,4,4-Trichloro-1-(4-nitrophenyl)-2-buten-1-one | C10H6Cl3NO3

(2Z)-4,4,4-Trichloro-1-(4-nitrophenyl)-2-buten-1-one

  • Molecular FormulaC10H6Cl3NO3
  • Average mass294.518 Da
  • Monoisotopic mass292.941315 Da
  • ChemSpider ID29004193
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-4,4,4-Trichlor-1-(4-nitrophenyl)-2-buten-1-on [German] [ACD/IUPAC Name]
(2Z)-4,4,4-Trichloro-1-(4-nitrophenyl)-2-buten-1-one [ACD/IUPAC Name]
(2Z)-4,4,4-Trichloro-1-(4-nitrophényl)-2-butén-1-one [French] [ACD/IUPAC Name]
2-Buten-1-one, 4,4,4-trichloro-1-(4-nitrophenyl)-, (2Z)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 419.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 207.4±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 66.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 463.81
ACD/KOC (pH 5.5): 2819.50
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 463.81
ACD/KOC (pH 7.4): 2819.50
Polar Surface Area: 63 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 193.6±3.0 cm3

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