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Home> Hot Product Listed E   > (E)-1-(4'-fluorobiphenyl-2-yl)-N-hydroxymethanimine
1235656-83-3 structure

(E)-1-(4'-fluorobiphenyl-2-yl)-N-hydroxymethanimine

Iupac Name:N-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CAS No.:1235656-83-3
Molecular Weight:409.504
Molecular Formula:C24H18N2O3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C22H23N3O3S/c26-20(15-28-17-6-2-1-3-7-17)25-12-10-16(11-13-25)14-23-21(27)22-24-18-8-4-5-9-19(18)29-22/h1-9,16H,10-15H2,(H,23,27)
InChkey
DLAFGRHNONABRZ-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCC1CNC(=O)C2=NC3=CC=CC=C3S2)C(=O)COC4=CC=CC=C4
Computational chemical data
  • Molecular Weight:409.504g/mol
  • Molecular Formula:C24H18N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:409.146
  • Monoisotopic Mass:409.146
  • Complexity:562
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:99.8A^2
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgQQAAAADQzh1gYwx7PIFAis ASVyVAKD+KBjKjhImLz+bJgOZqLksb+XOCjk1hH46AeQQAAKAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
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