Cas no 126794-87-4 (Ethanimidoyl chloride,N-(1-oxopropoxy)-)

Ethanimidoyl chloride,N-(1-oxopropoxy)- structure
126794-87-4 structure
Product Name:Ethanimidoyl chloride,N-(1-oxopropoxy)-
CAS No:126794-87-4
MF:C5H8ClNO2
MW:149.575520515442
CID:152065
PubChem ID:9589285
Update Time:2025-04-19

Ethanimidoyl chloride,N-(1-oxopropoxy)- Chemical and Physical Properties

Names and Identifiers

    • Ethanimidoyl chloride,N-(1-oxopropoxy)-
    • [(Z)-1-chloroethylideneamino] propanoate
    • BRN 4243100
    • Ethanimidoyl chloride, N-(1-oxopropoxy)-
    • N-(1-Oxopropoxy)ethanimidoyl chloride
    • 126794-87-4
    • Inchi: 1S/C5H8ClNO2/c1-3-5(8)9-7-4(2)6/h3H2,1-2H3/b7-4-
    • InChI Key: RCDPCDAROHGKOA-DAXSKMNVSA-N
    • SMILES: Cl/C(/C)=N\OC(CC)=O

Computed Properties

  • Exact Mass: 149.02444
  • Monoisotopic Mass: 149.0243562g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 133
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • PSA: 38.66
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