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4-Hydroxy-6-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one

Base Information
  • Chemical Name:4-Hydroxy-6-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
  • CAS No.:921611-67-8
  • Molecular Formula:C9H6F3NO3
  • Molecular Weight:233.14400
  • Hs Code.:
  • ChEMBL ID:CHEMBL2270713
  • DSSTox Substance ID:DTXSID50582629
  • Nikkaji Number:J2.410.010C
  • Wikidata:Q82474109
4-Hydroxy-6-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one

Synonyms:921611-67-8;4-Hydroxy-6-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one;6-CF3-D-DIBOA;SCHEMBL4260480;CHEMBL2270713;DTXSID50582629;LSDGCUUISKDZKC-UHFFFAOYSA-N

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Chemical Property of 4-Hydroxy-6-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Property:
  • Boiling Point:335.4±52.0 °C(Predicted) 
  • PSA:49.77000 
  • Density:1.603±0.06 g/cm3(Predicted) 
  • LogP:1.88500 
  • XLogP3:1.5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Rotatable Bond Count:0
  • Exact Mass:233.02997754
  • Heavy Atom Count:16
  • Complexity:294
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1C(=O)N(C2=C(O1)C=CC(=C2)C(F)(F)F)O
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