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Search term: IXCNLWFKOZONMP-UHFFFAOYSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)propanoate | C9H12FNO4

Ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)propanoate

  • Molecular FormulaC9H12FNO4
  • Average mass217.194 Da
  • Monoisotopic mass217.075043 Da
  • ChemSpider ID75578569

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2-Fluoro-3-hydroxy-3-(5-méthyl-1,2-oxazol-3-yl)propanoate d'éthyle [French] [ACD/IUPAC Name]
3-Isoxazolepropanoic acid, α-fluoro-β-hydroxy-5-methyl-, ethyl ester, (αR,βS)- [ACD/Index Name]
Ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)propanoate [ACD/IUPAC Name]
Ethyl-(2R,3S)-2-fluor-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)propanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 367.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 176.3±27.9 °C
Index of Refraction: 1.475
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.30
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.69
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.69
Polar Surface Area: 73 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 171.6±3.0 cm3

Click to predict properties on the Chemicalize site


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