Cas no 112968-89-5 (Benzene, 1-bromo-4-[2-(2-methoxyethoxy)ethoxy]-)

Benzene, 1-bromo-4-[2-(2-methoxyethoxy)ethoxy]- structure
112968-89-5 structure
Product Name:Benzene, 1-bromo-4-[2-(2-methoxyethoxy)ethoxy]-
CAS No:112968-89-5
MF:C11H15BrO3
MW:275.139003038406
CID:1200984
PubChem ID:14026184
Update Time:2025-04-20

Benzene, 1-bromo-4-[2-(2-methoxyethoxy)ethoxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-bromo-4-[2-(2-methoxyethoxy)ethoxy]-
    • 1-bromo-4-[2-(2-methoxyethoxy)ethoxy]benzene
    • DB-179773
    • 112968-89-5
    • 1-(2-(2-Methoxyethoxy)ethoxy)-4-bromobenzene
    • SCHEMBL1928522
    • FPSUWMSZOUDIIH-UHFFFAOYSA-N
    • AKOS010793536
    • 4-[2-(2-methoxyethoxy)ethoxy]bromobenzene
    • 1-bromo-4-(2-(2-methoxyethoxy)ethoxy)benzene
    • A1-29708
    • Inchi: 1S/C11H15BrO3/c1-13-6-7-14-8-9-15-11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
    • InChI Key: FPSUWMSZOUDIIH-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)OCCOCCOC

Computed Properties

  • Exact Mass: 274.02045
  • Monoisotopic Mass: 274.02046g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 147
  • 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: 1.8
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • PSA: 27.69
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