Found 368 results

Search term: MF = 'C_{22}H_{27}BrN_{2}O_{5}'
ChemSpider 2D Image | Ethyl (2-bromo-4-{(1E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxo-1-propen-1-yl}-6-methoxyphenoxy)acetate | C22H27BrN2O5

Ethyl (2-bromo-4-{(1E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxo-1-propen-1-yl}-6-methoxyphenoxy)acetate

  • Molecular FormulaC22H27BrN2O5
  • Average mass479.364 Da
  • Monoisotopic mass478.110321 Da
  • ChemSpider ID21863422

  • Double-bond stereo - Double-bond stereo

More details:

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

(2-Bromo-4-{(1E)-2-cyano-3-[(2-méthylcyclohexyl)amino]-3-oxo-1-propén-1-yl}-6-méthoxyphénoxy)acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[2-bromo-4-[(1E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxo-1-propen-1-yl]-6-methoxyphenoxy]-, ethyl ester [ACD/Index Name]
Ethyl (2-bromo-4-{(1E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxo-1-propen-1-yl}-6-methoxyphenoxy)acetate [ACD/IUPAC Name]
Ethyl-(2-brom-4-{(1E)-2-cyan-3-[(2-methylcyclohexyl)amino]-3-oxo-1-propen-1-yl}-6-methoxyphenoxy)acetat [German] [ACD/IUPAC Name]
(E)-ethyl 2-(2-bromo-4-(2-cyano-3-((2-methylcyclohexyl)amino)-3-oxoprop-1-en-1-yl)-6-methoxyphenoxy)acetate
688023-51-0 [RN]
ethyl (2-bromo-4-{(1E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate
ethyl (2-bromo-4-{2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxo-1-propenyl}-6-methoxyphenoxy)acetate
ethyl 2-[2-bromo-4-[(E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]-6-methoxyphenoxy]acetate
ethyl 2-{2-bromo-4-[(1E)-2-cyano-2-[(2-methylcyclohexyl)carbamoyl]eth-1-en-1-yl]-6-methoxyphenoxy}acetate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 626.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.7±3.0 kJ/mol
    Flash Point: 332.7±31.5 °C
    Index of Refraction: 1.568
    Molar Refractivity: 115.2±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 4.04
    ACD/LogD (pH 5.5): 4.19
    ACD/BCF (pH 5.5): 895.52
    ACD/KOC (pH 5.5): 4515.40
    ACD/LogD (pH 7.4): 4.19
    ACD/BCF (pH 7.4): 895.50
    ACD/KOC (pH 7.4): 4515.29
    Polar Surface Area: 98 Å2
    Polarizability: 45.7±0.5 10-24cm3
    Surface Tension: 53.2±5.0 dyne/cm
    Molar Volume: 352.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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