Cas no 50451-89-3 (2-bromo-1-benzothiophene-3-carboxylic acid)

2-bromo-1-benzothiophene-3-carboxylic acid structure
50451-89-3 structure
Product Name:2-bromo-1-benzothiophene-3-carboxylic acid
CAS No:50451-89-3
MF:C9H5BrO2S
MW:257.103800535202
CID:6310864
PubChem ID:68665597
Update Time:2024-11-07

2-bromo-1-benzothiophene-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-1-benzothiophene-3-carboxylic acid
    • EN300-1609184
    • Z2044811851
    • MGNSSFGSAJGIBM-UHFFFAOYSA-N
    • 50451-89-3
    • SCHEMBL3495901
    • G73822
    • 2-Bromobenzo[b]thiophene-3-carboxylic acid
    • DB-409346
    • 2-bromo-1-benzothiophene-3-carboxylicacid
    • Inchi: 1S/C9H5BrO2S/c10-8-7(9(11)12)5-3-1-2-4-6(5)13-8/h1-4H,(H,11,12)
    • InChI Key: MGNSSFGSAJGIBM-UHFFFAOYSA-N
    • SMILES: BrC1=C(C(=O)O)C2C=CC=CC=2S1

Computed Properties

  • Exact Mass: 255.91936g/mol
  • Monoisotopic Mass: 255.91936g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 222
  • 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: 65.5?2

2-bromo-1-benzothiophene-3-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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