ChemSpider 2D Image | 4-[(1E)-3-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-oxo-1-propen-1-yl]benzonitrile | C29H19F2NO2

4-[(1E)-3-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-oxo-1-propen-1-yl]benzonitrile

  • Molecular FormulaC29H19F2NO2
  • Average mass451.464 Da
  • Monoisotopic mass451.138397 Da
  • ChemSpider ID30657766

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(1E)-3-(4,4''-Difluor-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-oxo-1-propen-1-yl]benzonitril [German] [ACD/IUPAC Name]
4-[(1E)-3-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3-oxo-1-propen-1-yl]benzonitrile [ACD/IUPAC Name]
4-[(1E)-3-(4,4''-Difluoro-5'-méthoxy-1,1':3',1''-terphényl-4'-yl)-3-oxo-1-propén-1-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(1E)-3-(4,4''-difluoro-5'-methoxy[1,1':3',1''-terphenyl]-4'-yl)-3-oxo-1-propen-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.4±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11613.10
ACD/KOC (pH 5.5): 28266.93
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11613.10
ACD/KOC (pH 7.4): 28266.93
Polar Surface Area: 50 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 347.3±5.0 cm3

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