ChemSpider 2D Image | MFCD09787812 | C13H12BrNO2

MFCD09787812

  • Molecular FormulaC13H12BrNO2
  • Average mass294.144 Da
  • Monoisotopic mass293.005127 Da
  • ChemSpider ID21687678

More details:

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

3-Quinolinecarboxylic acid, 6-bromo-2-methyl-, ethyl ester [ACD/Index Name]
6-Bromo-2-méthyl-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
6-Bromo-2-methylquinoline-3-carboxylic acid ethyl ester
948289-14-3 [RN]
Ethyl 6-bromo-2-methyl-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl 6-bromo-2-methylquinoline-3-carboxylate
Ethyl-6-brom-2-methyl-3-chinolincarboxylat [German] [ACD/IUPAC Name]
MFCD09787812
6-Bromo-2-methyl-quinolin-3-carboxylic acid ethyl ester
6-bromo-2-methylquinoline-3-carboxylicacidethylester

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 358.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.4±3.0 kJ/mol
    Flash Point: 170.6±26.5 °C
    Index of Refraction: 1.615
    Molar Refractivity: 71.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.95
    ACD/LogD (pH 5.5): 3.75
    ACD/BCF (pH 5.5): 416.00
    ACD/KOC (pH 5.5): 2604.47
    ACD/LogD (pH 7.4): 3.75
    ACD/BCF (pH 7.4): 418.13
    ACD/KOC (pH 7.4): 2617.74
    Polar Surface Area: 39 Å2
    Polarizability: 28.2±0.5 10-24cm3
    Surface Tension: 48.7±3.0 dyne/cm
    Molar Volume: 203.6±3.0 cm3

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