ChemSpider 2D Image | 1-[(7Z)-7-(4-Fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethanone | C24H20F2N6O3

1-[(7Z)-7-(4-Fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethanone

  • Molecular FormulaC24H20F2N6O3
  • Average mass478.451 Da
  • Monoisotopic mass478.156494 Da
  • ChemSpider ID76944793

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(7Z)-7-(4-Fluorbenzyliden)-3-(4-fluorphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethanon [German] [ACD/IUPAC Name]
1-[(7Z)-7-(4-Fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethanone [ACD/IUPAC Name]
1-[(7Z)-7-(4-Fluorobenzylidène)-3-(4-fluorophényl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 681.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.1±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 123.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.87
ACD/KOC (pH 5.5): 959.38
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.88
ACD/KOC (pH 7.4): 959.48
Polar Surface Area: 109 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 320.0±7.0 cm3

Click to predict properties on the Chemicalize site


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