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3(2H)-Isothiazolone, 5-chloro-2-[(4-ethynylphenyl)methyl]-

Base Information
  • Chemical Name:3(2H)-Isothiazolone, 5-chloro-2-[(4-ethynylphenyl)methyl]-
  • CAS No.:918107-90-1
  • Molecular Formula:C12H8ClNOS
  • Molecular Weight:
  • Hs Code.:
  • DSSTox Substance ID:DTXSID80475277
  • Wikidata:Q82305622
3(2H)-Isothiazolone, 5-chloro-2-[(4-ethynylphenyl)methyl]-

Synonyms:918107-90-1;3(2H)-Isothiazolone, 5-chloro-2-[(4-ethynylphenyl)methyl]-;SCHEMBL14640440;DTXSID80475277

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Chemical Property of 3(2H)-Isothiazolone, 5-chloro-2-[(4-ethynylphenyl)methyl]-
Chemical Property:
  • XLogP3:2.6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:3
  • Exact Mass:249.0015127
  • Heavy Atom Count:16
  • Complexity:363
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C#CC1=CC=C(C=C1)CN2C(=O)C=C(S2)Cl
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