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Home> Encyclopedia > Hot Product Listed Z   > ZINC14983890
885522-80-5 structure

ZINC14983890

Iupac Name:6-fluoro-4-nitro-2H-indazole-3-carbaldehyde
CAS No.:885522-80-5
Molecular Weight:209.136
Molecular Formula:C8H4FN3O3 (isomer)
Names and Identifiers
Synonyms

6-fluoro-4-nitro-1h-indazole-3-carbaldehyde 6-fluoro-4-nitro-3-(1h)indazole carboxaldehyde KB-3356491 W-3379

Inchi
InChI=1S/C8H4FN3O3/c9-4-1-5-8(6(3-13)11-10-5)7(2-4)12(14)15/h1-3H,(H,10,11)
InChkey
SAJZULNHVWRVDE-UHFFFAOYSA-N
Canonical Smiles
C1=C(C=C(C2=C(NN=C21)C=O)[N+](=O)[O-])F
Computational chemical data
  • Molecular Weight:209.136g/mol
  • Molecular Formula:C8H4FN3O3
  • Compound Is Canonicalized:True
  • Exact Mass:209.024
  • Monoisotopic Mass:209.024
  • Complexity:283
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:91.6A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBzMQAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHwAcAAAADAihngowwPBzQACr AyxywwCSBAAmAgAwuSGwZNoIIDKA1dGApQBgmAAIyQcciICOAAAAAAQCAAAAAAAACAQAAAAAAAAA AA==
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