ChemSpider 2D Image | 2-Bromo-6-ethoxy-4-{(E)-[(2Z)-(5-hexyl-2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indol-3-ylidene)hydrazono]methyl}phenol | C24H27BrN6O2

2-Bromo-6-ethoxy-4-{(E)-[(2Z)-(5-hexyl-2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indol-3-ylidene)hydrazono]methyl}phenol

  • Molecular FormulaC24H27BrN6O2
  • Average mass511.414 Da
  • Monoisotopic mass510.137878 Da
  • ChemSpider ID29381269

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Brom-6-ethoxy-4-{(E)-[(2Z)-(5-hexyl-2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indol-3-yliden)hydrazono]methyl}phenol [German] [ACD/IUPAC Name]
2-Bromo-6-ethoxy-4-{(E)-[(2Z)-(5-hexyl-2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indol-3-ylidene)hydrazono]methyl}phenol [ACD/IUPAC Name]
2-Bromo-6-éthoxy-4-{(E)-[(2Z)-(5-hexyl-2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indol-3-ylidène)hydrazono]méthyl}phénol [French] [ACD/IUPAC Name]
Benzaldehyde, 3-bromo-5-ethoxy-4-hydroxy-, 2-(5-hexyl-5H-1,2,4-triazino[5,6-b]indol-3-yl)hydrazone [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 612.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 324.3±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 6.64
ACD/BCF (pH 5.5): 61139.73
ACD/KOC (pH 5.5): 84966.62
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 36714.77
ACD/KOC (pH 7.4): 51022.95
Polar Surface Area: 97 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 353.5±7.0 cm3

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