[1-(3,4-dichlorophenyl)triazol-4-yl]methanol

[1-(3,4-dichlorophenyl)triazol-4-yl]methanol bmse011464 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H7Cl2N3O

Natural Isotopic Abundance Mass: 244.07737999999995

Mono-Isotopic Molecular Masses:

  • C12N14: 242.996617219
  • C13N14: 252.02681076100004
  • C12N15: 245.98772189800002
  • C13N15: 255.01791544000005

InChI string: InChI=1S/C9H7Cl2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2

IUPAC: [1-(3,4-dichlorophenyl)triazol-4-yl]methanol

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)