Cas no 885274-78-2 (4-Oxazolecarboxylicacid, 2-(2-fluorophenyl)-, ethyl ester)

4-Oxazolecarboxylicacid, 2-(2-fluorophenyl)-, ethyl ester structure
885274-78-2 structure
Product Name:4-Oxazolecarboxylicacid, 2-(2-fluorophenyl)-, ethyl ester
CAS No:885274-78-2
MF:C12H10FNO3
MW:235.211106777191
CID:711174
PubChem ID:53407310
Update Time:2024-10-26

4-Oxazolecarboxylicacid, 2-(2-fluorophenyl)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Oxazolecarboxylicacid, 2-(2-fluorophenyl)-, ethyl ester
    • 2-(2-fluorophenyl)-4-Oxazolecarboxylic acid ethyl ester
    • 2-(2-FLUOROPHENYL)OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER,
    • ethyl 2-(2-fluorophenyl)-1,3-oxazole-4-carboxylate
    • 2-(2-FLUORO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
    • ETHYL 2-(2-FLUOROPHENYL)OXAZOLE-4-CARBOXYLATE
    • ETHYL2-(2-FLUOROPHENYL)OXAZOLE-4-CARBOXYLATE
    • AB27495
    • 885274-78-2
    • DB-077604
    • DTXSID30695862
    • Inchi: 1S/C12H10FNO3/c1-2-16-12(15)10-7-17-11(14-10)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3
    • InChI Key: NGSHSERPKZUPFI-UHFFFAOYSA-N
    • SMILES: O1C=C(C(OCC)=O)N=C1C1=CC=CC=C1F

Computed Properties

  • Exact Mass: 235.06400
  • Monoisotopic Mass: 235.06447134g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 275
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Density: 1.242±0.06 g/cm3(Predicted)
  • Boiling Point: 341.5±48.0 °C(Predicted)
  • PSA: 52.33000
  • LogP: 2.65740
  • pka: -2.81±0.10(Predicted)

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