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Home> Encyclopedia > Hot Product Listed 8   > 8-(trifluoroMethoxy)quinazoline-2,4(1H,3H)-dione
959236-83-0 structure

8-(trifluoroMethoxy)quinazoline-2,4(1H,3H)-dione

Iupac Name:8-(trifluoromethoxy)-1H-quinazoline-2,4-dione
CAS No.:959236-83-0
Molecular Weight:246.145
Molecular Formula:C9H5F3N2O3 (isomer)
Names and Identifiers
Synonyms

8-(trifluoromethoxy)quinazoline-2,4(1h,3h) -dione d121531 SCHEMBL7030828 ZINC26894344

Inchi
InChI=1S/C9H5F3N2O3/c10-9(11,12)17-5-3-1-2-4-6(5)13-8(16)14-7(4)15/h1-3H,(H2,13,14,15,16)
InChkey
FVQOONKLIQLJCV-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=C1)OC(F)(F)F)NC(=O)NC2=O
Computational chemical data
  • Molecular Weight:246.145g/mol
  • Molecular Formula:C9H5F3N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:246.025
  • Monoisotopic Mass:246.025
  • Complexity:345
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:67.4A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBzMYAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHwAQAAAADAyBmBAxxoLABACI AiVSUACCCAAlIAAIiAEHTMiOJjrE9ZuFMahsxTNY6ee6yBCOAAABAAACEAAAAAIAAAQgAAAAAAAA AA==
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