4-Bromophenol | SBID = 276 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 4
PubChem TPSA/Å2: 20.2
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 2.6
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 1.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 101.5
Sum Formula: C6H5BrO
M / g/mol: 173.009
Complexity: 66.0
Number of Conformers: 1.0

Identifiers

  • Tags: aromatic, typical guest
  • Name: 4-Bromophenol
  • Preferred Abbreviation: 4-Bromophenol
  • IUPAC Name: 4-bromophenol
  • CAS: 106-41-2
  • CID: 7808
  • InChiKey: GZFGOTFRPZRKDS-UHFFFAOYSA-N
  • InChi: InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
  • CanoSmiles: C1=CC(=CC=C1O)Br
  • IsoSmiles: C1=CC(=CC=C1O)Br