ChemSpider 2D Image | (2E)-3-(3-Bromophenyl)-1-(2-methylphenyl)-2-propen-1-one | C16H13BrO

(2E)-3-(3-Bromophenyl)-1-(2-methylphenyl)-2-propen-1-one

  • Molecular FormulaC16H13BrO
  • Average mass301.178 Da
  • Monoisotopic mass300.014984 Da
  • ChemSpider ID28426890

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Bromophenyl)-1-(2-methylphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(3-Bromophényl)-1-(2-méthylphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-(3-Bromphenyl)-1-(2-methylphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(3-bromophenyl)-1-(2-methylphenyl)-, (2E)- [ACD/Index Name]
(2E)-3-(3-bromophenyl)-1-(2-methylphenyl)prop-2-en-1-one
(E)-3-(3-bromophenyl)-1-(2-methylphenyl)prop-2-en-1-one
(E)-3-(3-bromophenyl)-1-o-tolylprop-2-en-1-one
1616723-49-9 [RN]
atoms 18 bonds 19
MFCD21335214

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 420.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.5±3.0 kJ/mol
    Flash Point: 73.0±16.0 °C
    Index of Refraction: 1.635
    Molar Refractivity: 79.6±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 5.31
    ACD/LogD (pH 5.5): 4.54
    ACD/BCF (pH 5.5): 1667.30
    ACD/KOC (pH 5.5): 7045.57
    ACD/LogD (pH 7.4): 4.54
    ACD/BCF (pH 7.4): 1667.30
    ACD/KOC (pH 7.4): 7045.57
    Polar Surface Area: 17 Å2
    Polarizability: 31.6±0.5 10-24cm3
    Surface Tension: 46.1±3.0 dyne/cm
    Molar Volume: 222.3±3.0 cm3

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