ChemSpider 2D Image | (3E)-4-(3-Bromo-4-ethoxyphenyl)-3-buten-2-one | C12H13BrO2

(3E)-4-(3-Bromo-4-ethoxyphenyl)-3-buten-2-one

  • Molecular FormulaC12H13BrO2
  • Average mass269.134 Da
  • Monoisotopic mass268.009888 Da
  • ChemSpider ID29355591

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-4-(3-Brom-4-ethoxyphenyl)-3-buten-2-on [German] [ACD/IUPAC Name]
(3E)-4-(3-Bromo-4-ethoxyphenyl)-3-buten-2-one [ACD/IUPAC Name]
(3E)-4-(3-Bromo-4-éthoxyphényl)-3-butén-2-one [French] [ACD/IUPAC Name]
(3E)-4-(3-Bromo-4-ethoxyphenyl)but-3-en-2-one
1393444-15-9 [RN]
3-Buten-2-one, 4-(3-bromo-4-ethoxyphenyl)-, (3E)- [ACD/Index Name]
(E)-4-(3-bromo-4-ethoxyphenyl)but-3-en-2-one
[1393444-15-9] [RN]
MFCD22383783
SH-5558

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 380.6±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.9±3.0 kJ/mol
    Flash Point: 184.0±25.1 °C
    Index of Refraction: 1.569
    Molar Refractivity: 65.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.28
    ACD/LogD (pH 5.5): 3.19
    ACD/BCF (pH 5.5): 155.98
    ACD/KOC (pH 5.5): 1292.43
    ACD/LogD (pH 7.4): 3.19
    ACD/BCF (pH 7.4): 155.98
    ACD/KOC (pH 7.4): 1292.43
    Polar Surface Area: 26 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 39.1±3.0 dyne/cm
    Molar Volume: 200.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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