ChemSpider 2D Image | 5-[(Z)-(4-Bromobenzylidene)amino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile | C18H8BrCl2F3N4

5-[(Z)-(4-Bromobenzylidene)amino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile

  • Molecular FormulaC18H8BrCl2F3N4
  • Average mass488.088 Da
  • Monoisotopic mass485.926147 Da
  • ChemSpider ID30655044

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-3-carbonitrile, 5-[[(1Z)-(4-bromophenyl)methylene]amino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-[(Z)-(4-Brombenzyliden)amino]-1-[2,6-dichlor-4-(trifluormethyl)phenyl]-1H-pyrazol-3-carbonitril [German] [ACD/IUPAC Name]
5-[(Z)-(4-Bromobenzylidene)amino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile [ACD/IUPAC Name]
5-[(Z)-(4-Bromobenzylidène)amino]-1-[2,6-dichloro-4-(trifluorométhyl)phényl]-1H-pyrazole-3-carbonitrile [French] [ACD/IUPAC 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: 536.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.2±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 17108.35
ACD/KOC (pH 5.5): 37300.68
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 17108.41
ACD/KOC (pH 7.4): 37300.80
Polar Surface Area: 54 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 298.9±7.0 cm3

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