Cas no 54590-36-2 (Benzene, 1-(4-bromophenoxy)-4-phenoxy-)

Benzene, 1-(4-bromophenoxy)-4-phenoxy- structure
54590-36-2 structure
Product Name:Benzene, 1-(4-bromophenoxy)-4-phenoxy-
CAS No:54590-36-2
MF:C18H13BrO2
MW:341.198624372482
CID:354167
PubChem ID:5001892
Update Time:2025-04-19

Benzene, 1-(4-bromophenoxy)-4-phenoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-(4-bromophenoxy)-4-phenoxy-
    • 1-bromo-4-(4-phenoxyphenoxy)benzene
    • 54590-36-2
    • SCHEMBL18105336
    • AKOS024352248
    • DTXSID60407415
    • Inchi: 1S/C18H13BrO2/c19-14-6-8-16(9-7-14)21-18-12-10-17(11-13-18)20-15-4-2-1-3-5-15/h1-13H
    • InChI Key: MNUZKMAIKKBYQR-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)OC1C=CC(=CC=1)OC1C=CC=CC=1

Computed Properties

  • Exact Mass: 340.00989
  • Monoisotopic Mass: 340.00989g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 288
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.9
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46
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