Cas no 67532-39-2 (Benzene, 1-bromo-3-(4-methylphenoxy)-)

Benzene, 1-bromo-3-(4-methylphenoxy)- structure
67532-39-2 structure
Product Name:Benzene, 1-bromo-3-(4-methylphenoxy)-
CAS No:67532-39-2
MF:C13H11BrO
MW:263.129842996597
CID:394679
PubChem ID:13166068
Update Time:2025-04-19

Benzene, 1-bromo-3-(4-methylphenoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-bromo-3-(4-methylphenoxy)-
    • 1-bromo-3-(4-methylphenoxy)benzene
    • SCHEMBL2628178
    • DTXSID70524167
    • 67532-39-2
    • Inchi: 1S/C13H11BrO/c1-10-5-7-12(8-6-10)15-13-4-2-3-11(14)9-13/h2-9H,1H3
    • InChI Key: FACYPSOSUDETHE-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)OC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 261.99933
  • Monoisotopic Mass: 261.99933g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 187
  • 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: 4.5
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23
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