Cas no 62913-21-7 (Benzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl ester)

Benzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl ester structure
62913-21-7 structure
Product Name:Benzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl ester
CAS No:62913-21-7
MF:C11H9BrO3S
MW:301.156361341476
CID:2789249
PubChem ID:673236
Update Time:2025-04-21

Benzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzo[b]thiophene-2-carboxylic acid, 3-bromo-5-methoxy-, methyl ester
    • DTXSID30350080
    • 62913-21-7
    • AKOS024274416
    • Inchi: 1S/C11H9BrO3S/c1-14-6-3-4-8-7(5-6)9(12)10(16-8)11(13)15-2/h3-5H,1-2H3
    • InChI Key: MGPNEMFXUBLBIR-UHFFFAOYSA-N
    • SMILES: BrC1=C(C(=O)OC)SC2C=CC(=CC=21)OC

Computed Properties

  • Exact Mass: 299.94558Da
  • Monoisotopic Mass: 299.94558Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 274
  • 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: 3.8
  • Topological Polar Surface Area: 63.8?2
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