ChemSpider 2D Image | Isopropyl 3-bromo-2-oxopropanoate | C6H9BrO3

Isopropyl 3-bromo-2-oxopropanoate

  • Molecular FormulaC6H9BrO3
  • Average mass209.038 Da
  • Monoisotopic mass207.973495 Da
  • ChemSpider ID14943164

More details:






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

3-Bromo-2-oxopropanoate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 3-bromo-2-oxopropanoate [ACD/IUPAC Name]
Isopropyl-3-brom-2-oxopropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-bromo-2-oxo-, 1-methylethyl ester [ACD/Index Name]
56417-63-1 [RN]
CS-16993
Isopropyl bromopyruvate
MFCD18642772
Propan-2-yl 3-bromo-2-oxopropanoate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.5±0.1 g/cm3
    Boiling Point: 213.0±23.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.9±3.0 kJ/mol
    Flash Point: 82.6±22.6 °C
    Index of Refraction: 1.467
    Molar Refractivity: 39.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.09
    ACD/LogD (pH 5.5): 1.23
    ACD/BCF (pH 5.5): 5.02
    ACD/KOC (pH 5.5): 110.46
    ACD/LogD (pH 7.4): 1.23
    ACD/BCF (pH 7.4): 5.02
    ACD/KOC (pH 7.4): 110.46
    Polar Surface Area: 43 Å2
    Polarizability: 15.6±0.5 10-24cm3
    Surface Tension: 37.3±3.0 dyne/cm
    Molar Volume: 141.7±3.0 cm3

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