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Home> Encyclopedia > Hot Product Listed X   > XOHOCMBXDFQWDF-UHFFFAOYSA-N
886499-59-8 structure

XOHOCMBXDFQWDF-UHFFFAOYSA-N

Iupac Name:4-chloro-3-(trifluoromethoxy)benzaldehyde
CAS No.:886499-59-8
Molecular Weight:224.563
Molecular Formula:C8H4ClF3O2 (isomer)
Computational chemical data
  • Molecular Weight:224.563g/mol
  • Molecular Formula:C8H4ClF3O2
  • Compound Is Canonicalized:True
  • Exact Mass:223.985
  • Monoisotopic Mass:223.985
  • Complexity:207
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:14
  • 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: AAADcYBwMYAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGwIAAAAADAagmDIwBoAABACI AihSgAACCAAkJUAIiAEGC8gMJjOFNxqAMSAkwBEIqYeKyBCOBAABAAAACAAIAAIAAAAQAAAAAAAA AA==
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