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Home> Hot Product Listed T   > T6678214
1260763-07-2 structure

T6678214

Iupac Name:N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CAS No.:1260763-07-2
Molecular Weight:252.563
Molecular Formula:C21H28N2O4S2 (isomer)
Names and Identifiers
Synonyms

5-(3-{[1-(3-methylphenyl)-1h-imidazol-2-yl]sulfanyl}propyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole MCULE-5683361142 MOLPORT-009-150-737 SCHEMBL18997949 Z272193830 ZINC48375045

Inchi
InChI=1S/C10H11Cl2N.ClH/c11-9-3-1-2-7(10(9)12)6-13-8-4-5-8;/h1-3,8,13H,4-6H2;1H
InChkey
PSGVXVWMSBMJDZ-UHFFFAOYSA-N
Canonical Smiles
C1CC1NCC2=C(C(=CC=C2)Cl)Cl.Cl
Computational chemical data
  • Molecular Weight:252.563g/mol
  • Molecular Formula:C21H28N2O4S2
  • Compound Is Canonicalized:True
  • Exact Mass:251.004
  • Monoisotopic Mass:251.004
  • Complexity:170
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12A^2
  • Heavy Atom Count:14
  • 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: AAADccByAAAGAAAAAAAAAAAAGAAAAAAAAAAwAAAAAAAAAAABAAAAHAIQAAAADCrBGCQwAILAAACA AiBCAACCAAAgBQAIisAIBogIICKBkxGEIAhgkACIiAcQgAAOAAAAIAABAAQAAABAAAIACAAAAAAA AA==
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