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Home> Hot Product Listed S   > STOCK7S-10135
1184980-60-6 structure

STOCK7S-10135

Iupac Name:2,2,2-trifluoro-1-(4-fluorophenyl)ethanamine;hydrochloride
CAS No.:1184980-60-6
Molecular Weight:229.603
Molecular Formula:C16H16CL2N4S (isomer)
Names and Identifiers
Synonyms

4-[2-(1-oxophthalazin-2-yl)acetamido]butanoic acid 4-{[(1-oxophthalazin-2(1h)-yl)acetyl]amino}butanoic acid AKOS005756888 BG00625398 MCULE-7533076191 MOLPORT-009-652-595 STL157304 ZINC49550036

Inchi
InChI=1S/C8H7F4N.ClH/c9-6-3-1-5(2-4-6)7(13)8(10,11)12;/h1-4,7H,13H2;1H
InChkey
BMJQOPDJQFLGFV-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C(C(F)(F)F)N)F.Cl
Computational chemical data
  • Molecular Weight:229.603g/mol
  • Molecular Formula:C16H16CL2N4S
  • Compound Is Canonicalized:True
  • Exact Mass:229.028
  • Monoisotopic Mass:229.028
  • Complexity:160
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByAcAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQAQAAAADCjBGBwwAIBAAACA AiBCAACCAAAgAAAIiIAABIgIICKAkRGAIABggAAIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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