Cas no 3470-72-2 ( )

  structure
  structure
Product Name: 
CAS No:3470-72-2
MF:C10H8BrNO
MW:238.08062171936
CID:919442
PubChem ID:319381
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-1-(1H-indol-2-yl)ethanone
    • 1-(1H-indol-2-yl)-2-bromoethanone
    • 2-Bromacetylindol
    • 2-bromo-1-indol-2-yl-ethanone
    • AC1L803O
    • CTK1C3410
    • NSC263521
    • NSC-263521
    • DS-013000
    • 3470-72-2
    • AKOS015866145
    • 2-(bromoacetyl)indole
    • AFBWFQXGVILQRR-UHFFFAOYSA-N
    • 2-Bromo-1-(1H-indol-2-yl)ethan-1-one
    • DTXSID50312822
    • SCHEMBL9788957
    •  
    • Inchi: 1S/C10H8BrNO/c11-6-10(13)9-5-7-3-1-2-4-8(7)12-9/h1-5,12H,6H2
    • InChI Key: AFBWFQXGVILQRR-UHFFFAOYSA-N
    • SMILES: BrCC(C1=CC2C=CC=CC=2N1)=O

Computed Properties

  • Exact Mass: 236.97894
  • Monoisotopic Mass: 236.97893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 207
  • 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: 2.9
  • Topological Polar Surface Area: 32.9?2

Experimental Properties

  • PSA: 32.86
  • LogP: 2.74550
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