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Home> Encyclopedia > Hot Product Listed 6   > 6,10-Methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde,6,7,9,10-tetrahydro-
1451392-87-2 structure

6,10-Methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde,6,7,9,10-tetrahydro-

Iupac Name:(6-bromo-3-chloro-2-fluorophenyl)boronic acid
CAS No.:1451392-87-2
Molecular Weight:253.258
Molecular Formula:C15H15NO (isomer)
Names and Identifiers
Synonyms

6,7,9,10-Tetrahydro- 6,7,9,10-Tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde N-Formyl Varenicline N-Formylvarenicline

Inchi
InChI=1S/C6H4BBrClFO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H
InChkey
RQWDCSBDDYTXMA-UHFFFAOYSA-N
Canonical Smiles
B(C1=C(C=CC(=C1F)Cl)Br)(O)O
Computational chemical data
  • Molecular Weight:253.258g/mol
  • Molecular Formula:C15H15NO
  • Compound Is Canonicalized:True
  • Exact Mass:251.916
  • Monoisotopic Mass:251.916
  • Complexity:163
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:40.5A^2
  • Heavy Atom Count:12
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADcYJgMQAEEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAoGQJACAABqAKAECgwAIAAAACA ACBCAAACAAAgBQQIiAAAAqgIICKBEhCAIAAggAAIihcAAAAAAAAIAAAAAAAAABAAAAAAAAAAAAAA AA==
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