ChemSpider 2D Image | 1-(2-Fluorophenyl)-4-[(1E)-3,4,4-trichloro-1-(hexadecylsulfanyl)-2-nitro-1,3-butadien-1-yl]piperazine | C30H45Cl3FN3O2S

1-(2-Fluorophenyl)-4-[(1E)-3,4,4-trichloro-1-(hexadecylsulfanyl)-2-nitro-1,3-butadien-1-yl]piperazine

  • Molecular FormulaC30H45Cl3FN3O2S
  • Average mass637.120 Da
  • Monoisotopic mass635.228210 Da
  • ChemSpider ID21179628

  • 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-(hexadecylsulfanyl)-2-nitro-1,3-butadien-1-yl]piperazine [ACD/IUPAC Name]
1-(2-Fluorophényl)-4-[(1E)-3,4,4-trichloro-1-(hexadécylsulfanyl)-2-nitro-1,3-butadién-1-yl]pipérazine [French] [ACD/IUPAC Name]
1-(2-Fluorphenyl)-4-[(1E)-3,4,4-trichlor-1-(hexadecylsulfanyl)-2-nitro-1,3-butadien-1-yl]piperazin [German] [ACD/IUPAC Name]
Piperazine, 1-(2-fluorophenyl)-4-[(1E)-3,4,4-trichloro-1-(hexadecylthio)-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: 1.2±0.1 g/cm3
Boiling Point: 572.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 299.8±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 170.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 11.99
ACD/LogD (pH 5.5): 10.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5779140.00
ACD/LogD (pH 7.4): 11.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 78 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 535.6±3.0 cm3

Click to predict properties on the Chemicalize site


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