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Home> Hot Product Listed T   > T6874748
387350-44-9 structure

T6874748

Iupac Name:2-[4-(trifluoromethyl)pyridin-3-yl]sulfanylacetic acid
CAS No.:387350-44-9
Molecular Weight:237.196
Molecular Formula:C16H28N4O4 (isomer)
Names and Identifiers
Synonyms

3-[(4-fluorophenyl)methyl]-1-[3-(2-oxoimidazolidin-1-yl)phenyl]urea MCULE-5025143501 MOLPORT-009-552-832 Z433470302 ZINC47894258

Inchi
InChI=1S/C8H6F3NO2S/c9-8(10,11)5-1-2-12-3-6(5)15-4-7(13)14/h1-3H,4H2,(H,13,14)
InChkey
XPBACFWQIBVREX-UHFFFAOYSA-N
Canonical Smiles
C1=CN=CC(=C1C(F)(F)F)SCC(=O)O
Computational chemical data
  • Molecular Weight:237.196g/mol
  • Molecular Formula:C16H28N4O4
  • Compound Is Canonicalized:True
  • Exact Mass:237.007
  • Monoisotopic Mass:237.007
  • Complexity:234
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Heavy Atom Count:15
  • 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
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