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Home> Hot Product Listed E   > ethyl 7-chloro-6-[(e)-(hydroxyimino)methyl]-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carbox...
1263280-07-4 structure

ethyl 7-chloro-6-[(e)-(hydroxyimino)methyl]-2-(pentanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate

Iupac Name:2-(2,2,2-trifluoroacetyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-one
CAS No.:1263280-07-4
Molecular Weight:221.179
Molecular Formula:C9H10N4 (isomer)
Names and Identifiers
Synonyms

AKOS005642107 BBL001919 CHEMBL512535 MCULE-6246417890 mfcd00812111 MOLPORT-019-748-612 STK995668

Inchi
InChI=1S/C9H10F3NO2/c10-9(11,12)8(15)13-3-5-1-7(14)2-6(5)4-13/h5-6H,1-4H2
InChkey
ISBFCMOGUHRWRM-UHFFFAOYSA-N
Canonical Smiles
C1C2CN(CC2CC1=O)C(=O)C(F)(F)F
Computational chemical data
  • Molecular Weight:221.179g/mol
  • Molecular Formula:C9H10N4
  • Compound Is Canonicalized:True
  • Exact Mass:221.066
  • Monoisotopic Mass:221.066
  • Complexity:297
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:37.4A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMYAAAAAAAAAAAAAAAAAAAeIAAAAAAAAAAAAWAAAAAAAAHwAAAAAADQTBgBQAAAMAAAAI AIEQEAAAAAAAAAAAAAEIAAAAABIAgAAEAAAABgCAAAEcgQAOgAAAAAAAAAAAAAAAAAAAAAAACAAA AA==
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