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Home> Encyclopedia > Hot Product Listed 6   > 6H-Purin-6-one,2-[(3,4-dibromophenyl)amino]-1,9-dihydro-
959701-61-2 structure

6H-Purin-6-one,2-[(3,4-dibromophenyl)amino]-1,9-dihydro-

Iupac Name:3-(3-chloropropyl)-3,4-dihydro-1H-naphthalen-2-one
CAS No.:959701-61-2
Molecular Weight:222.712g/mol
Molecular Formula:C28H29CLN4S (isomer)
Names and Identifiers
Synonyms

6H-Purin-6-one,2-[(3,4-dibromophenyl)amino]-1,7-dihydro- (9CI)

Inchi
InChI=1S/C13H15ClO/c14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)15/h1-2,4-5,12H,3,6-9H2
InChkey
DPYRUMOMIZSFIN-UHFFFAOYSA-N
Canonical Smiles
C1C(C(=O)CC2=CC=CC=C21)CCCCl
Properties
Density
1.33
Flash Point
127.8°C
Computational chemical data
  • Molecular Weight:222.712g/molg/mol
  • Molecular Formula:C28H29CLN4S
  • Compound Is Canonicalized:True
  • Exact Mass:222.081
  • Monoisotopic Mass:222.081
  • Complexity:227
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:15
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccBwIAAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAGgIAAAAADQeAmEAwAIAAAACI AqBSAAACAAAgAAAIiAEAAogIIDKBFRCAIAAggAAIiAcIiMCOgAAAAAAQAACAAAQAACAAAAAAAAAA AA==
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