Cas no 898747-00-7 (6-Bromo-1H-indazole-4-carbonitrile)

6-Bromo-1H-indazole-4-carbonitrile structure
898747-00-7 structure
Product Name:6-Bromo-1H-indazole-4-carbonitrile
CAS No:898747-00-7
MF:C8H4BrN3
MW:222.041460037231
MDL:MFCD08458976
CID:822611
PubChem ID:24728918
Update Time:2024-10-26

6-Bromo-1H-indazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 6-Bromo-1H-indazole-4-carbonitrile
    • 6-Bromo-4-cyanoindazole
    • ILGPSFSWRANYDT-UHFFFAOYSA-N
    • BCP21279
    • SB16329
    • FCH1389155
    • AX8217053
    • X5607
    • ST24024262
    • 6-Bromo-1H-indazole-4-carbonitrile (ACI)
    • MFCD08458976
    • AKOS016002634
    • DTXSID50646573
    • SCHEMBL459141
    • DS-16329
    • 6-Bromoindazole-4-carbonitrile
    • YKB74700
    • 898747-00-7
    • DB-369151
    • TQR0183
    • SY111320
    • CS-W022450
    • MDL： MFCD08458976
    • Inchi： 1S/C8H4BrN3/c9-6-1-5(3-10)7-4-11-12-8(7)2-6/h1-2,4H,(H,11,12)
    • InChI Key： ILGPSFSWRANYDT-UHFFFAOYSA-N
    • SMILES： N#CC1C2=C(NN=C2)C=C(Br)C=1

Computed Properties

  • Exact Mass: 220.95886g/mol
  • Monoisotopic Mass: 220.95886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • 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
  • Topological Polar Surface Area: 52.5
  • XLogP3: 2

Experimental Properties

  • Density: 1.85

6-Bromo-1H-indazole-4-carbonitrile Pricemore >>

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