Cas no 647858-60-4 (Benzaldehyde, 3-bromo-2,5-bis(phenylmethoxy)-)

Benzaldehyde, 3-bromo-2,5-bis(phenylmethoxy)- structure
647858-60-4 structure
Product Name:Benzaldehyde, 3-bromo-2,5-bis(phenylmethoxy)-
CAS No:647858-60-4
MF:C21H17BrO3
MW:397.261885404587
CID:415823
PubChem ID:71378623
Update Time:2025-04-19

Benzaldehyde, 3-bromo-2,5-bis(phenylmethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-bromo-2,5-bis(phenylmethoxy)-
    • 3-bromo-2,5-bis(phenylmethoxy)benzaldehyde
    • 647858-60-4
    • DTXSID20801233
    • 2,5-Bis(benzyloxy)-3-bromobenzaldehyde
    • Inchi: 1S/C21H17BrO3/c22-20-12-19(24-14-16-7-3-1-4-8-16)11-18(13-23)21(20)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2
    • InChI Key: SOENATMRYIVGRI-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=CC(C=O)=C1OCC1C=CC=CC=1)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 396.03611
  • Monoisotopic Mass: 396.03611g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 7
  • Complexity: 391
  • 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
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
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