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Home> Hot Product Listed T   > T6758747
1417985-25-1 structure

T6758747

Iupac Name:1H-pyrazolo[3,4-b]pyridin-5-ylboronic acid
CAS No.:1417985-25-1
Molecular Weight:162.943
Molecular Formula:C14H15NO4 (isomer)
Names and Identifiers
Synonyms

2-[(5-cyano-2-ethoxyphenyl)amino]-n-cyclopropyl-2-phenylacetamide MCULE-7267262786 MOLPORT-009-104-371 Z841146038

Inchi
InChI=1S/C6H6BN3O2/c11-7(12)5-1-4-2-9-10-6(4)8-3-5/h1-3,11-12H,(H,8,9,10)
InChkey
JXIUBXRQKVVTPI-UHFFFAOYSA-N
Canonical Smiles
B(C1=CC2=C(NN=C2)N=C1)(O)O
Computational chemical data
  • Molecular Weight:162.943g/mol
  • Molecular Formula:C14H15NO4
  • Compound Is Canonicalized:True
  • Exact Mass:163.055
  • Monoisotopic Mass:163.055
  • Complexity:169
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:82A^2
  • Heavy Atom Count:12
  • 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: AAADcYJjMAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAoHAAYCAAADADBGwQ9sN5rEACi AjJnZACShCuxgKAV+SAoRJiIKOLA2dGEpAhgiALIyCYQAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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