ChemSpider 2D Image | Isopropyl (2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}acrylate | C20H21ClO4

Isopropyl (2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}acrylate

  • Molecular FormulaC20H21ClO4
  • Average mass360.831 Da
  • Monoisotopic mass360.112823 Da
  • ChemSpider ID35470659

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-{4-[(4-Chlorobenzyl)oxy]-3-méthoxyphényl}acrylate d'isopropyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-, 1-methylethyl ester, (2E)- [ACD/Index Name]
Isopropyl (2E)-3-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}acrylate [ACD/IUPAC Name]
Isopropyl-(2E)-3-{4-[(4-chlorbenzyl)oxy]-3-methoxyphenyl}acrylat [German] [ACD/IUPAC Name]
(E)-isopropyl 3-(4-((4-chlorobenzyl)oxy)-3-methoxyphenyl)acrylate
1269600-81-8 [RN]
3-[4-(4-Chloro-benzyloxy)-3-methoxy-phenyl]-acrylic acid isopropyl ester
MFCD18446453

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 487.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.3±3.0 kJ/mol
    Flash Point: 174.1±26.3 °C
    Index of Refraction: 1.574
    Molar Refractivity: 100.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 5.13
    ACD/LogD (pH 5.5): 4.85
    ACD/BCF (pH 5.5): 2863.89
    ACD/KOC (pH 5.5): 10377.30
    ACD/LogD (pH 7.4): 4.85
    ACD/BCF (pH 7.4): 2863.89
    ACD/KOC (pH 7.4): 10377.30
    Polar Surface Area: 45 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 41.6±3.0 dyne/cm
    Molar Volume: 304.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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