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Home> Hot Product Listed F   > F5033-3029
1803587-88-3 structure

F5033-3029

Iupac Name:cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CAS No.:1803587-88-3
Molecular Weight:252.563g/mol
Molecular Formula:C17H15F2N5O2S2 (isomer)
Names and Identifiers
Synonyms

1-((1-(methylsulfonyl)piperidin-4-yl)methyl)-3-(4-(trifluoromethyl)phenyl)urea AKOS024492077 MCULE-4869087872 MOLPORT-009-722-838 VU0631272-1 ZINC43980614

Inchi
InChI=1S/C10H11Cl2N.ClH/c11-7-2-1-3-8(12)9(7)10(13)6-4-5-6;/h1-3,6,10H,4-5,13H2;1H
InChkey
QSNJNYNVBAQNIP-UHFFFAOYSA-N
Canonical Smiles
C1CC1C(C2=C(C=CC=C2Cl)Cl)N.Cl
Computational chemical data
  • Molecular Weight:252.563g/molg/mol
  • Molecular Formula:C17H15F2N5O2S2
  • Compound Is Canonicalized:True
  • Exact Mass:251.004
  • Monoisotopic Mass:251.004
  • Complexity:172
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • 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: AAADccByAAAGAAAAAAAAAAAAGAAAAAAAAAAwAAAAAAAAAAABAAAAHAIQAAAADSrBGCQwAIBAAACA AiBCAACCAAAgBQAIiIAABogIICKBkxGAIABgkAAIiAcQgMAOAAAAAACBAAAAAAAAAQIAAAAAAAAA AA==
 
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