Cas no 227802-37-1 (2-bromo-5-fluoro-1-benzothiophene)

2-bromo-5-fluoro-1-benzothiophene structure
227802-37-1 structure
Product Name:2-bromo-5-fluoro-1-benzothiophene
CAS No:227802-37-1
MF:C8H4BrFS
MW:231.084763526917
CID:1411870
PubChem ID:18476380
Update Time:2025-04-20

2-bromo-5-fluoro-1-benzothiophene Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-5-fluoro-1-benzothiophene
    • 2-BROMO-5-FLUORO-BENZO[B]THIOPHENE
    • 227802-37-1
    • SCHEMBL6823688
    • NCMKVFIAROIKQN-UHFFFAOYSA-N
    • DTXSID40594231
    • 2-bromo-5-fluorobenzo[b]thiophene
    • Inchi: 1S/C8H4BrFS/c9-8-4-5-3-6(10)1-2-7(5)11-8/h1-4H
    • InChI Key: NCMKVFIAROIKQN-UHFFFAOYSA-N
    • SMILES: BrC1=CC2C=C(C=CC=2S1)F

Computed Properties

  • Exact Mass: 229.92012
  • Monoisotopic Mass: 229.92011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 153
  • 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: 4.1
  • Topological Polar Surface Area: 28.2?2

Experimental Properties

  • PSA: 0
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