Cas no 885278-33-1 (6-Fluoro-1H-indazole-3-carbonitrile)

6-Fluoro-1H-indazole-3-carbonitrile structure
885278-33-1 structure
Product Name:6-Fluoro-1H-indazole-3-carbonitrile
CAS No:885278-33-1
MF:C8H4FN3
MW:161.135864257813
MDL:MFCD07371570
CID:711537
PubChem ID:51358534
Update Time:2024-10-26

6-Fluoro-1H-indazole-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 6-Fluoro-1H-indazole-3-carbonitrile
    • 1H-Indazole-3-carbonitrile,6-fluoro-
    • 4248AC
    • FCH855336
    • AX8026514
    • ST24045359
    • AM20041312
    • 1H-INDAZOLE-3-CARBONITRILE, 6-FLUORO-
    • 6-Fluoro-1H-indazole-3-carbonitrile (ACI)
    • 885278-33-1
    • SB39515
    • SY020630
    • DTXSID40680007
    • DS-16997
    • AKOS006285074
    • SCHEMBL16252839
    • DB-077750
    • AC-28270
    • MFCD07371570
    • MDL： MFCD07371570
    • Inchi： 1S/C8H4FN3/c9-5-1-2-6-7(3-5)11-12-8(6)4-10/h1-3H,(H,11,12)
    • InChI Key： RRZPVSNDZPXMLN-UHFFFAOYSA-N
    • SMILES： N#CC1C2C(=CC(=CC=2)F)NN=1

Computed Properties

  • Exact Mass: 161.03900
  • Monoisotopic Mass: 161.039
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1.7

Experimental Properties

  • Boiling Point: 373.2±22.0℃ at 760 mmHg
  • PSA: 52.47000
  • LogP: 1.57368

6-Fluoro-1H-indazole-3-carbonitrile Security Information

6-Fluoro-1H-indazole-3-carbonitrile Pricemore >>

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