Cas no 122136-05-4 (Benzoic acid, 3,5-dibromo-4-methoxy-, ethyl ester)

Benzoic acid, 3,5-dibromo-4-methoxy-, ethyl ester structure
122136-05-4 structure
Product Name:Benzoic acid, 3,5-dibromo-4-methoxy-, ethyl ester
CAS No:122136-05-4
MF:C10H10Br2O3
MW:337.99260187149
CID:1213744
PubChem ID:33779637
Update Time:2025-04-20

Benzoic acid, 3,5-dibromo-4-methoxy-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3,5-dibromo-4-methoxy-, ethyl ester
    • AKOS002391634
    • 122136-05-4
    • ETHYL 3,5-DIBROMO-4-METHOXYBENZOATE
    • 3,5-dibromo-4-methoxy-benzoic acid ethyl ester
    • 3,5-Dibromo-4-methoxy-benzoic acid ethyl ester, 97%
    • MFCD11557572
    • Inchi: 1S/C10H10Br2O3/c1-3-15-10(13)6-4-7(11)9(14-2)8(12)5-6/h4-5H,3H2,1-2H3
    • InChI Key: XLTIERVSMAVVFU-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C=C(C(=O)OCC)C=1)Br)OC

Computed Properties

  • Exact Mass: 335.8996
  • Monoisotopic Mass: 335.89967g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 211
  • 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: 3.5
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

Benzoic acid, 3,5-dibromo-4-methoxy-, ethyl ester Pricemore >>

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