[1-(4-chlorophenyl)triazol-4-yl]methanol

[1-(4-chlorophenyl)triazol-4-yl]methanol bmse011397 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H8ClN3O

Natural Isotopic Abundance Mass: 209.63231999999994

Mono-Isotopic Molecular Masses:

  • C12N14: 209.035589571
  • C13N14: 218.06578311300004
  • C12N15: 212.02669425000002
  • C13N15: 221.05688779200005

InChI string: InChI=1S/C9H8ClN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-5,14H,6H2

IUPAC: [1-(4-chlorophenyl)triazol-4-yl]methanol

wwPDB CCD: B1J

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)