3-(2,3,5,6-tetrafluorobenzyl)-1-vinyl-1H-imidazol-3-ium | SBID = 2054 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C12H9F4N2+
M / g/mol: 257.2068728
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: 3-(2,3,5,6-tetrafluorobenzyl)-1-vinyl-1H-imidazol-3-ium
  • Preferred Abbreviation: 4FBVI
  • IUPAC Name:
  • CAS:
  • CID: -885
  • InChiKey: BNRCUOYWRMXMIF-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H9F4N2/c1-2-17-3-4-18(7-17)6-8-11(15)9(13)5-10(14)12(8)16/h2-5,7H,1,6H2/q+1
  • CanoSmiles: C=Cn1cc[n+](c1)Cc1c(F)c(F)cc(c1F)F
  • IsoSmiles: FC1=C(F)C=C(F)C(F)=C1C[N+]2=CN(C=C)C=C2