Cas no 400767-05-7 (3-Bromo-4,6-dichloro-1H-indole-2-carboxylic acid)

3-Bromo-4,6-dichloro-1H-indole-2-carboxylic acid structure
400767-05-7 structure
Product Name:3-Bromo-4,6-dichloro-1H-indole-2-carboxylic acid
CAS No:400767-05-7
MF:C9H4BrCl2NO2
MW:308.943559646606
CID:1028833
PubChem ID:71710976
Update Time:2025-04-20

3-Bromo-4,6-dichloro-1H-indole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-4,6-dichloro-1H-indole-2-carboxylic acid
    • DTXSID50856670
    • DB-315191
    • 400767-05-7
    • Inchi: 1S/C9H4BrCl2NO2/c10-7-6-4(12)1-3(11)2-5(6)13-8(7)9(14)15/h1-2,13H,(H,14,15)
    • InChI Key: GCXGPYGPWBPTDK-UHFFFAOYSA-N
    • SMILES: BrC1=C(C(=O)O)NC2C=C(C=C(C=21)Cl)Cl

Computed Properties

  • Exact Mass: 306.88025g/mol
  • Monoisotopic Mass: 306.88025g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 279
  • 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: 3.9
  • Topological Polar Surface Area: 53.1?2

3-Bromo-4,6-dichloro-1H-indole-2-carboxylic acid Pricemore >>

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