ChemSpider 2D Image | 1-(2-Fluorophenyl)-4-{(1E)-3,4,4-trichloro-1-[(4-chlorophenyl)sulfanyl]-2-nitro-1,3-butadien-1-yl}piperazine | C20H16Cl4FN3O2S

1-(2-Fluorophenyl)-4-{(1E)-3,4,4-trichloro-1-[(4-chlorophenyl)sulfanyl]-2-nitro-1,3-butadien-1-yl}piperazine

  • Molecular FormulaC20H16Cl4FN3O2S
  • Average mass523.235 Da
  • Monoisotopic mass520.970154 Da
  • ChemSpider ID21179191

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(2-Fluorophenyl)-4-{(1E)-3,4,4-trichloro-1-[(4-chlorophenyl)sulfanyl]-2-nitro-1,3-butadien-1-yl}piperazine [ACD/IUPAC Name]
1-(2-Fluorophényl)-4-{(1E)-3,4,4-trichloro-1-[(4-chlorophényl)sulfanyl]-2-nitro-1,3-butadién-1-yl}pipérazine [French] [ACD/IUPAC Name]
1-(2-Fluorphenyl)-4-{(1E)-3,4,4-trichlor-1-[(4-chlorphenyl)sulfanyl]-2-nitro-1,3-butadien-1-yl}piperazin [German] [ACD/IUPAC Name]
Piperazine, 1-(2-fluorophenyl)-4-[(1E)-3,4,4-trichloro-1-[(4-chlorophenyl)thio]-2-nitro-1,3-butadien-1-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 473.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 239.9±28.7 °C
Index of Refraction: 1.678
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 10624.28
ACD/KOC (pH 5.5): 19329.41
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31518.65
ACD/KOC (pH 7.4): 57343.84
Polar Surface Area: 78 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 336.0±5.0 cm3

Click to predict properties on the Chemicalize site


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