Cas no 1803587-52-1 (methyl 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylate)

methyl 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylate structure
1803587-52-1 structure
Product Name:methyl 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylate
CAS No:1803587-52-1
MF:C11H8FNO3
MW:221.184526443481
CID:4616534
PubChem ID:86812213
Update Time:2024-11-05

methyl 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylate
    • 1803587-52-1
    • Methyl 5-(3-fluorophenyl)isoxazole-3-carboxylate
    • 5-(3-fluorophenyl)-methyl ester, 3-Isoxazolecarboxylic acid
    • methyl5-(3-fluorophenyl)-1,2-oxazole-3-carboxylate
    • EN300-185486
    • Methyl5-(3-fluorophenyl)isoxazole-3-carboxylate
    • 3-Isoxazolecarboxylic acid, 5-(3-fluorophenyl)-, methyl ester
    • DTXSID801181732
    • G52390
    • Inchi: 1S/C11H8FNO3/c1-15-11(14)9-6-10(16-13-9)7-3-2-4-8(12)5-7/h2-6H,1H3
    • InChI Key: BCBSUOISLUHEAN-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C1=CC(C(=O)OC)=NO1

Computed Properties

  • Exact Mass: 221.04882128g/mol
  • Monoisotopic Mass: 221.04882128g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 262
  • 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: 2.3
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 371.0±32.0 °C at 760 mmHg
  • Flash Point: 178.1±25.1 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

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