ChemSpider 2D Image | Methyl 5-(4-fluorophenyl)oxazole-4-carboxylate | C11H8FNO3

Methyl 5-(4-fluorophenyl)oxazole-4-carboxylate

  • Molecular FormulaC11H8FNO3
  • Average mass221.184 Da
  • Monoisotopic mass221.048828 Da
  • ChemSpider ID21469319

More details:

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

4-Oxazolecarboxylic acid, 5-(4-fluorophenyl)-, methyl ester [ACD/Index Name]
5-(4-Fluorophényl)-1,3-oxazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
89204-90-0 [RN]
Methyl 5-(4-fluorophenyl)-1,3-oxazole-4-carboxylate [ACD/IUPAC Name]
Methyl 5-(4-fluorophenyl)oxazole-4-carboxylate
Methyl-5-(4-fluorphenyl)-1,3-oxazol-4-carboxylat [German] [ACD/IUPAC Name]
[89204-90-0] [RN]
1-Fluoro-4-[4-(methoxycarbonyl)-1,3-oxazol-5-yl]benzene
3-Phenyl-5-thiophen-2-yl-1,2,4-oxadiazole [ACD/IUPAC Name]
5-(4-Fluorophenyl)-4-(methoxycarbonyl)-1,3-oxazole
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 350.1±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.5±3.0 kJ/mol
    Flash Point: 165.6±25.1 °C
    Index of Refraction: 1.525
    Molar Refractivity: 53.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.49
    ACD/LogD (pH 5.5): 1.80
    ACD/BCF (pH 5.5): 13.82
    ACD/KOC (pH 5.5): 228.04
    ACD/LogD (pH 7.4): 1.80
    ACD/BCF (pH 7.4): 13.82
    ACD/KOC (pH 7.4): 228.04
    Polar Surface Area: 52 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 42.3±3.0 dyne/cm
    Molar Volume: 172.8±3.0 cm3

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