4-Bromophenyl-methylpyridinium | SBID = 2552 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 5
PubChem TPSA/Å2:
Ertl TPSA/Å2: 3.88
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -2.45
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: C12H11BrN+
M / g/mol: 249.12644
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 4-Bromophenyl-methylpyridinium
  • Preferred Abbreviation: 4-Bromophenyl-methylpyridinium
  • IUPAC Name:
  • CAS:
  • CID: -1112
  • InChiKey: RSSUYQNFAWFSGL-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H11BrN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-9H,1H3/q+1
  • CanoSmiles: C[n+]1ccc(cc1)c1ccc(cc1)Br
  • IsoSmiles: C[N+](C=C1)=CC=C1C2=CC=C(Br)C=C2