Cas no 133871-69-9 (Benzaldehyde, 2,4,6-tribromo-3-methoxy-)

Benzaldehyde, 2,4,6-tribromo-3-methoxy- structure
133871-69-9 structure
Product Name:Benzaldehyde, 2,4,6-tribromo-3-methoxy-
CAS No:133871-69-9
MF:C8H5Br3O2
MW:372.83610033989
CID:1234028
PubChem ID:15694321
Update Time:2025-04-20

Benzaldehyde, 2,4,6-tribromo-3-methoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 2,4,6-tribromo-3-methoxy-
    • 2,4,6-tribromo-3-methoxybenzaldehyde
    • 133871-69-9
    • DTXSID50576967
    • SCHEMBL4264149
    • Inchi: 1S/C8H5Br3O2/c1-13-8-6(10)2-5(9)4(3-12)7(8)11/h2-3H,1H3
    • InChI Key: UFQAZAHRAQNQJR-UHFFFAOYSA-N
    • SMILES: BrC1C(C=O)=C(C=C(C=1OC)Br)Br

Computed Properties

  • Exact Mass: 369.78385
  • Monoisotopic Mass: 369.78397g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 188
  • 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: 3.4
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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