ChemSpider 2D Image | 2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}bis(4-bromophenol) | C20H20Br2N2O2

2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}bis(4-bromophenol)

  • Molecular FormulaC20H20Br2N2O2
  • Average mass480.193 Da
  • Monoisotopic mass477.989136 Da
  • ChemSpider ID30657688

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,2'-{(1R,2R)-1,2-Cyclohexandiylbis[nitrilo(E)methylyliden]}bis(4-bromphenol) [German] [ACD/IUPAC Name]
2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}bis(4-bromophenol) [ACD/IUPAC Name]
2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)méthylylidène]}bis(4-bromophénol) [French] [ACD/IUPAC Name]
Phenol, 2,2'-[(1R,2R)-1,2-cyclohexanediylbis[nitrilo(E)methylidyne]]bis[4-bromo- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 586.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 308.3±30.1 °C
Index of Refraction: 1.660
Molar Refractivity: 110.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 7460.01
ACD/KOC (pH 5.5): 14746.77
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 8474.56
ACD/KOC (pH 7.4): 16752.31
Polar Surface Area: 65 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 298.0±7.0 cm3

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