ChemSpider 2D Image | 2,4-Dibromo-6-[(Z)-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-ylimino)methyl]phenol | C19H19Br2NO5

2,4-Dibromo-6-[(Z)-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-ylimino)methyl]phenol

  • Molecular FormulaC19H19Br2NO5
  • Average mass501.166 Da
  • Monoisotopic mass498.962982 Da
  • ChemSpider ID23009295

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4-Dibrom-6-[(Z)-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-ylimino)methyl]phenol [German] [ACD/IUPAC Name]
2,4-Dibromo-6-[(Z)-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-ylimino)methyl]phenol [ACD/IUPAC Name]
2,4-Dibromo-6-[(Z)-(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotétraoxacyclododécin-12-ylimino)méthyl]phénol [French] [ACD/IUPAC Name]
Phenol, 2,4-dibromo-6-[(Z)-[(2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin-12-yl)imino]methyl]- [ACD/Index Name]
2,4-DIBROMO-6-[(Z)-2,5,8,11-TETRAOXABICYCLO[10.4.0]HEXADECA-1(12),13,15-TRIEN-15-YLIMINOMETHYL]PHENOL

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

Density: 1.6±0.1 g/cm3
Boiling Point: 590.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 310.7±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 107.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1377.10
ACD/KOC (pH 5.5): 5851.29
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 106.02
ACD/KOC (pH 7.4): 450.49
Polar Surface Area: 70 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 305.9±7.0 cm3

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