ChemSpider 2D Image | 8-[(2E)-2-(2-Chloro-6-fluorobenzylidene)hydrazino]-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione | C21H18ClFN6O2

8-[(2E)-2-(2-Chloro-6-fluorobenzylidene)hydrazino]-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC21H18ClFN6O2
  • Average mass440.858 Da
  • Monoisotopic mass440.116394 Da
  • ChemSpider ID22878412

  • Double-bond stereo - Double-bond stereo

More details:

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

8-[(2E)-2-(2-Chlor-6-fluorbenzyliden)hydrazino]-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-[(2E)-2-(2-Chloro-6-fluorobenzylidene)hydrazino]-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-[(2E)-2-(2-Chloro-6-fluorobenzylidène)hydrazino]-3-méthyl-7-(3-méthylbenzyl)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
Benzaldehyde, 2-chloro-6-fluoro-, 1-[2-[2,3,6,7-tetrahydro-3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-1H-purin-8-yl]hydrazone] [ACD/Index Name]
8-[(E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-3-methyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 115.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1177.86
ACD/KOC (pH 5.5): 5493.79
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1165.72
ACD/KOC (pH 7.4): 5437.13
Polar Surface Area: 92 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 301.8±7.0 cm3

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