ChemSpider 2D Image | GW4064 | C28H22Cl3NO4

GW4064

  • Molecular FormulaC28H22Cl3NO4
  • Average mass542.838 Da
  • Monoisotopic mass541.061462 Da
  • ChemSpider ID8069241

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-3-(2-chloro-4-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)styryl)benzoic acid
1089660-72-9 [RN]
278779-30-9 [RN]
3-(2,6-Dichlorophenyl)-4-(3'-carboxy-2-chlorostilben-4-yl)oxymethyl-5-isopropylisoxazole
3-[(1E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
3-[(1E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
3-[(E)-2-(2-Chlor-4-{[3-(2,6-dichlorphenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)vinyl]benzoesäure [German] [ACD/IUPAC Name]
3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
3-[(E)-2-(2-Chloro-4-{[3-(2,6-dichlorophenyl)-5-isopropyl-1,2-oxazol-4-yl]methoxy}phenyl)vinyl]benzoic acid [ACD/IUPAC Name]
3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-4-isoxazolyl]methoxy]phenyl]ethenyl]benzoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

GW 4064 [DBID]
064 [DBID]
C15635 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 702.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 107.9±3.0 kJ/mol
    Flash Point: 378.4±32.9 °C
    Index of Refraction: 1.654
    Molar Refractivity: 145.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 8.49
    ACD/LogD (pH 5.5): 7.03
    ACD/BCF (pH 5.5): 61973.61
    ACD/KOC (pH 5.5): 38891.03
    ACD/LogD (pH 7.4): 5.49
    ACD/BCF (pH 7.4): 1772.24
    ACD/KOC (pH 7.4): 1112.16
    Polar Surface Area: 73 Å2
    Polarizability: 57.7±0.5 10-24cm3
    Surface Tension: 54.1±3.0 dyne/cm
    Molar Volume: 397.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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