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Home> Hot Product Listed B   > Benzamide, 2-fluoro-N-(4,5,6,7-tetrahydro-4-benzofuranyl)- (9CI)
3946-08-5 structure

Benzamide, 2-fluoro-N-(4,5,6,7-tetrahydro-4-benzofuranyl)- (9CI)

Iupac Name:methyl (E)-icos-11-enoate
CAS No.:3946-08-5
Molecular Weight:324.549
Molecular Formula:C11H16BNO4S (isomer)
Names and Identifiers
Synonyms

2-fluoro-n-(4,5,6,7-tetrahydro-1-benzo[b]furan-4-yl)benzamide 2-fluoro-n-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide AC1MRCHN AKOS002734378 AKOS016094719 benzamide, 2-fluoro-n-(4,5,6,7-tetrahydro-4-benzofuranyl)- CTK5B4328 DTXSID40392976 KB-284600 MCULE-1495258320 MOLPORT-000-264-229 T6220499

Inchi
InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10+
InChkey
RBKMRGOHCLRTLZ-ZHACJKMWSA-N
Canonical Smiles
CCCCCCCCC=CCCCCCCCCCC(=O)OC
Computational chemical data
  • Molecular Weight:324.549g/mol
  • Molecular Formula:C11H16BNO4S
  • Compound Is Canonicalized:True
  • Exact Mass:324.303
  • Monoisotopic Mass:324.303
  • Complexity:271
  • Rotatable Bond Count:18
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAICCAAABACI ACDSCAAAAAAgAAAICAEAAAgAABIAAQAAAAAEgAAIAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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