ChemSpider 2D Image | 4-Bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(Z)-(4-methoxybenzylidene)amino]-1H-pyrazole-3-carbonitrile | C19H10BrCl2F3N4O

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

  • Molecular FormulaC19H10BrCl2F3N4O
  • Average mass518.114 Da
  • Monoisotopic mass515.936707 Da
  • ChemSpider ID30655454

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-3-carbonitrile, 4-bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[[(1Z)-(4-methoxyphenyl)methylene]amino]- [ACD/Index Name]
4-Brom-1-[2,6-dichlor-4-(trifluormethyl)phenyl]-5-[(Z)-(4-methoxybenzyliden)amino]-1H-pyrazol-3-carbonitril [German] [ACD/IUPAC Name]
4-Bromo-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(Z)-(4-methoxybenzylidene)amino]-1H-pyrazole-3-carbonitrile [ACD/IUPAC Name]
4-Bromo-1-[2,6-dichloro-4-(trifluorométhyl)phényl]-5-[(Z)-(4-méthoxybenzylidène)amino]-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: 599.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 316.2±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29712.95
ACD/KOC (pH 5.5): 55375.49
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29713.21
ACD/KOC (pH 7.4): 55375.98
Polar Surface Area: 63 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 320.6±7.0 cm3

Click to predict properties on the Chemicalize site


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