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Home> Hot Product Listed B   > benzo[b]thiophene-2-carboxylic acid, 3-(hydroxymethyl)-
936132-60-4 structure

benzo[b]thiophene-2-carboxylic acid, 3-(hydroxymethyl)-

Iupac Name:5-bromo-N-methoxy-N-methyl-1H-indazole-3-carboxamide
CAS No.:936132-60-4
Molecular Weight:284.113
Molecular Formula:C16H20FN5O2 (isomer)
Names and Identifiers
Synonyms

3-(hydroxymethyl)-1-benzothiophene-2-carboxylic acid AKOS009345772

Inchi
InChI=1S/C10H10BrN3O2/c1-14(16-2)10(15)9-7-5-6(11)3-4-8(7)12-13-9/h3-5H,1-2H3,(H,12,13)
InChkey
HIOCJEKIZLAFFW-UHFFFAOYSA-N
Canonical Smiles
CN(C(=O)C1=NNC2=C1C=C(C=C2)Br)OC
Computational chemical data
  • Molecular Weight:284.113g/mol
  • Molecular Formula:C16H20FN5O2
  • Compound Is Canonicalized:True
  • Exact Mass:282.996
  • Monoisotopic Mass:282.996
  • Complexity:277
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:58.2A^2
  • Heavy Atom Count:16
  • 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: AAADccBzMAAAEAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgBcAAABrAiBngYywPJzAACq AyVyUACSBAAmAgQ4uSG4ZPgIYLKA1dGUpQhgmgAIyxcciICOAAAgEAACAAAAAEAgAAQAAAAAAAAA AA==
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