Cas no 657424-77-6 (Ethyl 5-(3-chlorophenyl)isoxazole-3-carboxylate)

Ethyl 5-(3-chlorophenyl)isoxazole-3-carboxylate structure
657424-77-6 structure
Product Name:Ethyl 5-(3-chlorophenyl)isoxazole-3-carboxylate
CAS No:657424-77-6
MF:C12H10ClNO3
MW:251.665702342987
MDL:MFCD11113556
CID:875201
PubChem ID:46929188
Update Time:2025-04-19

Ethyl 5-(3-chlorophenyl)isoxazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-(3-chlorophenyl)isoxazole-3-carboxylate
    • Ethyl 5-(3-chlorophenyl)-1,2-oxazole-3-carboxylate
    • G70983
    • DTXSID50677367
    • Ethyl5-(3-chlorophenyl)isoxazole-3-carboxylate
    • 657424-77-6
    • 5-(3-chloro-phenyl)-isoxazole-3-carboxylic acid ethyl ester
    • 5-(3-CHLOROPHENYL)-ISOXAZOLE-3CARBOXYLICACIDETHYLESTER
    • DB-308034
    • MFCD11113556
    • SCHEMBL1227407
    • SY069150
    • ISTFXVOSPPRVQD-UHFFFAOYSA-N
    • ethyl 5-(3-chlorophenyl)-isoxazole-3-carboxylate
    • 5-(3-Chlorophenyl)-isoxazole-3 carboxylic acid ethyl ester
    • MFCD07367337
    • MDL: MFCD11113556
    • Inchi: 1S/C12H10ClNO3/c1-2-16-12(15)10-7-11(17-14-10)8-4-3-5-9(13)6-8/h3-7H,2H2,1H3
    • InChI Key: ISTFXVOSPPRVQD-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)C1=CC(C(=O)OCC)=NO1

Computed Properties

  • Exact Mass: 251.035
  • Monoisotopic Mass: 251.0349209g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • 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: 3.2
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.33

Ethyl 5-(3-chlorophenyl)isoxazole-3-carboxylate Security Information

  • Storage Condition:Sealed in dry,2-8°C

Ethyl 5-(3-chlorophenyl)isoxazole-3-carboxylate Pricemore >>

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