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2-{[5-(4-Fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl}benzoic acid

Base Information
  • Chemical Name:2-{[5-(4-Fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl}benzoic acid
  • CAS No.:87992-31-2
  • Molecular Formula:C16H10FN3O2S
  • Molecular Weight:
  • Hs Code.:
  • DSSTox Substance ID:DTXSID80522770
  • Wikidata:Q82388340
2-{[5-(4-Fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl}benzoic acid

Synonyms:87992-31-2;2-((5-(4-Fluorophenyl)-1,2,4-triazin-3-yl)thio)benzoic acid;DTXSID80522770;2-{[5-(4-Fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl}benzoic acid

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Chemical Property of 2-{[5-(4-Fluorophenyl)-1,2,4-triazin-3-yl]sulfanyl}benzoic acid
Chemical Property:
  • XLogP3:2.9
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Rotatable Bond Count:4
  • Exact Mass:327.04777591
  • Heavy Atom Count:23
  • Complexity:407
Purity/Quality:
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC=C(C(=C1)C(=O)O)SC2=NC(=CN=N2)C3=CC=C(C=C3)F
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