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Search term: IIPWPHRHDCHRQQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Methyl 3-bromo-2-oxopentanoate | C6H9BrO3

Methyl 3-bromo-2-oxopentanoate

  • Molecular FormulaC6H9BrO3
  • Average mass209.038 Da
  • Monoisotopic mass207.973495 Da
  • ChemSpider ID58815112

More details:






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

3-Bromo-2-oxopentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-bromo-2-oxopentanoate [ACD/IUPAC Name]
Methyl-3-brom-2-oxopentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 3-bromo-2-oxo-, methyl ester [ACD/Index Name]
137267-36-8 [RN]
MFCD24478482

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): 1.17
ACD/BCF (pH 5.5): 4.55
ACD/KOC (pH 5.5): 102.94
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.55
ACD/KOC (pH 7.4): 102.94
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

Click to predict properties on the Chemicalize site






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