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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > 1-[4-[(2-bromophenyl)-oxomethyl]-1h-pyrrol-2-yl]-2,2,2-trichloroethanone

Preferred term

1-[4-[(2-bromophenyl)-oxomethyl]-1h-pyrrol-2-yl]-2,2,2-trichloroethanone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C13H7BrCl3NO2

inchi

  • InChI=1S/C13H7BrCl3NO2/c14-9-4-2-1-3-8(9)11(19)7-5-10(18-6-7)12(20)13(15,16)17/h1-6,18H

inchikey

  • ARLGWSBOWGUQGF-UHFFFAOYSA-N

mass

  • 395.463

monoisotopicmass

  • 392.87257

smiles

  • C1=CC=C(C(=C1)C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl)Br

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121425

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