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Search term: WCSLPBBQHFXWBW (Found by InChIKey (skeleton match))

ChemSpider 2D Image | MFCD18429062 | C20H22N2O2

MFCD18429062

  • Molecular FormulaC20H22N2O2
  • Average mass322.401 Da
  • Monoisotopic mass322.168121 Da
  • ChemSpider ID21186942
  • 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]}diphenol [German] [ACD/IUPAC Name]
2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}diphenol [ACD/IUPAC Name]
2,2'-{(1R,2R)-1,2-Cyclohexanediylbis[nitrilo(E)méthylylidène]}diphénol [French] [ACD/IUPAC Name]
2-{(E)-[((1R,2R)-2-{[(E)-(2-hydroxyphenyl)methylidene]amino}cyclohexyl)imino]methyl}phenol
MFCD18429062
Phenol, 2,2'-[(1R,2R)-1,2-cyclohexanediylbis[nitrilo(E)methylidyne]]bis- [ACD/Index Name]
176776-60-6 [RN]
2,2'-((1E,1'E)-((1R,2R)-cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))diphenol
2,2'-((1E,1'E)-(trans-cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))diphenol
2,2'-(1E,1'E)-(trans (±)-cyclohexane-1,2- diylbis(azan-1-yl-1-ylidene)bis(methan-1-yl-1-ylidene)diphenol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 515.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.7±3.0 kJ/mol
    Flash Point: 345.3±19.4 °C
    Index of Refraction: 1.612
    Molar Refractivity: 94.9±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.42
    ACD/LogD (pH 5.5): 3.29
    ACD/BCF (pH 5.5): 114.54
    ACD/KOC (pH 5.5): 588.52
    ACD/LogD (pH 7.4): 3.52
    ACD/BCF (pH 7.4): 197.97
    ACD/KOC (pH 7.4): 1017.16
    Polar Surface Area: 65 Å2
    Polarizability: 37.6±0.5 10-24cm3
    Surface Tension: 46.6±7.0 dyne/cm
    Molar Volume: 273.0±7.0 cm3

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