ChemSpider 2D Image | Ethyl 4-(chloromethyl)-5-ethyl-1,2-oxazole-3-carboxylate | C9H12ClNO3

Ethyl 4-(chloromethyl)-5-ethyl-1,2-oxazole-3-carboxylate

  • Molecular FormulaC9H12ClNO3
  • Average mass217.650 Da
  • Monoisotopic mass217.050568 Da
  • ChemSpider ID21800415

More details:

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

1119449-80-7 [RN]
3-Isoxazolecarboxylic acid, 4-(chloromethyl)-5-ethyl-, ethyl ester [ACD/Index Name]
4-(Chlorométhyl)-5-éthyl-1,2-oxazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(chloromethyl)-5-ethyl-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-(chlormethyl)-5-ethyl-1,2-oxazol-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 4-(chloromethyl)-5-ethyl-3-isoxazolecarboxylate
Ethyl 4-(chloromethyl)-5-ethylisoxazole-3-carboxylate

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

MFCD12026930 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 347.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.2±3.0 kJ/mol
    Flash Point: 164.2±27.9 °C
    Index of Refraction: 1.492
    Molar Refractivity: 52.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.85
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 28.80
    ACD/KOC (pH 5.5): 385.70
    ACD/LogD (pH 7.4): 2.22
    ACD/BCF (pH 7.4): 28.80
    ACD/KOC (pH 7.4): 385.70
    Polar Surface Area: 52 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 39.4±3.0 dyne/cm
    Molar Volume: 180.4±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement