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Home> Hot Product Listed F   > F3222-4415
1171775-66-8 structure

F3222-4415

Iupac Name:4-(2,4-difluorophenoxy)piperidine;hydrochloride
CAS No.:1171775-66-8
Molecular Weight:249.686
Molecular Formula:C10H9CLN2O4S (isomer)
Names and Identifiers
Synonyms

1-((3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-(4-methoxybenzyl)thieno[3,2-d]pyrimidine-2,4(1h,3h)-dione AKOS021842869 MCULE-6713110454 MOLPORT-009-699-700 n-(3-methoxyphenyl)-2-({6-[4-(piperidin-1-ylcarbonyl)piperidin-1-yl]pyridazin-3-yl}thio)acetamide ZINC48985849

Inchi
InChI=1S/C11H13F2NO.ClH/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9;/h1-2,7,9,14H,3-6H2;1H
InChkey
OCJMIBZWCNGEAG-UHFFFAOYSA-N
Canonical Smiles
C1CNCCC1OC2=C(C=C(C=C2)F)F.Cl
Safety and Handling
HazardClass
IRRITANT
Computational chemical data
  • Molecular Weight:249.686g/mol
  • Molecular Formula:C10H9CLN2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:249.073
  • Monoisotopic Mass:249.073
  • Complexity:197
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:21.3A^2
  • Heavy Atom Count:16
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccByIYAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHwAQAAAACBThkA4wBoLABACA ACBCAAACCAAgIAAIiIAOCIgMJiKEsRqGOCCm0BGIqAeQQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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