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Home> Hot Product Listed T   > T6815450
1197668-23-7 structure

T6815450

Iupac Name:5-chloro-2,3-dihydro-1H-inden-1-amine;hydrochloride
CAS No.:1197668-23-7
Molecular Weight:204.094
Molecular Formula:C20H23FN2O2S (isomer)
Names and Identifiers
Synonyms

1-(naphthalen-2-yloxy)-3-{[1-(pyridin-2-yl)ethyl]amino}propan-2-ol MCULE-5037320259 MOLPORT-009-529-205 Z238904162

Inchi
InChI=1S/C9H10ClN.ClH/c10-7-2-3-8-6(5-7)1-4-9(8)11;/h2-3,5,9H,1,4,11H2;1H
InChkey
JRYBHXVWIQBARN-UHFFFAOYSA-N
Canonical Smiles
C1CC2=C(C1N)C=CC(=C2)Cl.Cl
Computational chemical data
  • Molecular Weight:204.094g/mol
  • Molecular Formula:C20H23FN2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:203.027
  • Monoisotopic Mass:203.027
  • Complexity:149
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:12
  • 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: AAADccByAAAGAAAAAAAAAAAAAAAAAYAAAAAwAAAAAAAAAGABAAAAHAIQAAAADCrBGCQwAIBAAACA AiBCAACCAAAgBQAIiIAABogIICKBkxGAIABgkAAIiAcQgIAOhAAAIAAQAAAIAABAACAAACAACQAA AA==
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