Cas no 753455-42-4 (Benzoic acid, 3,5-dibromo-4-formyl-, 1,1-dimethylethyl ester)

Benzoic acid, 3,5-dibromo-4-formyl-, 1,1-dimethylethyl ester structure
753455-42-4 structure
Product Name:Benzoic acid, 3,5-dibromo-4-formyl-, 1,1-dimethylethyl ester
CAS No:753455-42-4
MF:C12H12Br2O3
MW:364.02988243103
CID:835838
PubChem ID:71651167
Update Time:2025-04-19

Benzoic acid, 3,5-dibromo-4-formyl-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3,5-dibromo-4-formyl-, 1,1-dimethylethyl ester
    • TERT-BUTYL 3,5-DIBROMO-4-FORMYLBENZOATE
    • tert-butyl 3,5-dibromo-4-formyl-benzoate
    • 753455-42-4
    • Inchi: 1S/C12H12Br2O3/c1-12(2,3)17-11(16)7-4-9(13)8(6-15)10(14)5-7/h4-6H,1-3H3
    • InChI Key: YXIARMMFBCEILX-UHFFFAOYSA-N
    • SMILES: BrC1C(C=O)=C(C=C(C=1)C(=O)OC(C)(C)C)Br

Computed Properties

  • Exact Mass: 363.91327g/mol
  • Monoisotopic Mass: 361.91532g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 287
  • 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: 3.6
  • Topological Polar Surface Area: 43.4?2

Benzoic acid, 3,5-dibromo-4-formyl-, 1,1-dimethylethyl ester Related Literature

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