Cas no 127154-22-7 (Benzaldehyde, 5-bromo-2-(2-hydroxyethoxy)-)

Benzaldehyde, 5-bromo-2-(2-hydroxyethoxy)- structure
127154-22-7 structure
Product Name:Benzaldehyde, 5-bromo-2-(2-hydroxyethoxy)-
CAS No:127154-22-7
MF:C9H9BrO3
MW:245.069962263107
CID:1221159
PubChem ID:14688771
Update Time:2025-04-20

Benzaldehyde, 5-bromo-2-(2-hydroxyethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 5-bromo-2-(2-hydroxyethoxy)-
    • 5-BROMO-2-(2-HYDROXYETHOXY)BENZALDEHYDE
    • SCHEMBL4478065
    • PTOSJUVHPNTUSL-UHFFFAOYSA-N
    • DB-398035
    • 127154-22-7
    • AKOS000295432
    • Inchi: 1S/C9H9BrO3/c10-8-1-2-9(13-4-3-11)7(5-8)6-12/h1-2,5-6,11H,3-4H2
    • InChI Key: PTOSJUVHPNTUSL-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=O)C=1)OCCO

Computed Properties

  • Exact Mass: 243.97347
  • Monoisotopic Mass: 243.97351g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 163
  • 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: 1.4
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
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