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Home> Hot Product Listed P   > PB144581632
1432680-42-6 structure

PB144581632

Iupac Name:6,7-dichloro-1-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CAS No.:1432680-42-6
Molecular Weight:252.563
Molecular Formula:C21H21CL2NO2 (isomer)
Names and Identifiers
Synonyms

1-(4-fluorophenyl)-4-[3-nitro-4-(1,2,4-triazol-1-yl)benzoyl]piperazine 1-(4-fluorophenyl)-4-[3-nitro-4-(1h-1,2,4-triazol-1-yl)benzoyl]piperazine AKOS008038540 MCULE-5881697573 MOLPORT-009-842-008 Z82197003 ZINC15632799

Inchi
InChI=1S/C10H11Cl2N.ClH/c1-6-8-5-10(12)9(11)4-7(8)2-3-13-6;/h4-6,13H,2-3H2,1H3;1H
InChkey
YBEGXUPRXFFQFK-UHFFFAOYSA-N
Canonical Smiles
CC1C2=CC(=C(C=C2CCN1)Cl)Cl.Cl
Computational chemical data
  • Molecular Weight:252.563g/mol
  • Molecular Formula:C21H21CL2NO2
  • Compound Is Canonicalized:True
  • Exact Mass:251.004
  • Monoisotopic Mass:251.004
  • Complexity:186
  • Rotatable Bond Count:0
  • 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:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByAAAGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHAIQAAAADCrBGCQyAILAAACA AiBCAACCAAAgBQAAisAIBogIICKBkxGEIAhgkACIiAcQgIAOhAAAIAAQAAQIAABAACAACAAAAAAA AA==
 
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