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Home> Hot Product Listed 3   > 3-chloro-6-fluoro-1H-indazole
229009-41-0 structure

3-chloro-6-fluoro-1H-indazole

Iupac Name:(4-pyrrolidin-1-ylphenyl)boronic acid;hydrochloride
CAS No.:229009-41-0
Molecular Weight:191.03500
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H14BNO2.ClH/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12;/h3-6,13-14H,1-2,7-8H2;1H
InChkey
OWKIWLOZIOTTEF-UHFFFAOYSA-N
Canonical Smiles
B(C1=CC=C(C=C1)N2CCCC2)(O)O.Cl
Computational chemical data
  • Molecular Weight:191.03500g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:227.088
  • Monoisotopic Mass:227.088
  • Complexity:175
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.7A^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:2
  • CACTVS Substructure Key Fingerprint: AAADccJyMAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAoHAAACAAACAjBEAQwwIMAAACA ACRCQACCAAAhAgAIiAAIZIgIICLAkZGEIAhggADIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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