ChemSpider 2D Image | 5-[(Z)-(3-Bromobenzylidene)amino]-4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile | C18H7BrCl3F3N4

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

  • Molecular FormulaC18H7BrCl3F3N4
  • Average mass522.533 Da
  • Monoisotopic mass519.887146 Da
  • ChemSpider ID30654983

  • 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)-(3-bromophenyl)methylene]amino]-4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-[(Z)-(3-Brombenzyliden)amino]-4-chlor-1-[2,6-dichlor-4-(trifluormethyl)phenyl]-1H-pyrazol-3-carbonitril [German] [ACD/IUPAC Name]
5-[(Z)-(3-Bromobenzylidene)amino]-4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile [ACD/IUPAC Name]
5-[(Z)-(3-Bromobenzylidène)amino]-4-chloro-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: 1.7±0.1 g/cm3
Boiling Point: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 111.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 53894.03
ACD/KOC (pH 5.5): 84804.45
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 53894.09
ACD/KOC (pH 7.4): 84804.54
Polar Surface Area: 54 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 308.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement