AC1MI3UF structure

AC1MI3UF

2-bromo-8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Also Known As: 5-Norbornene-2,3-dicarboximide, 2-bromo-5-(alpha-hydroxy-alpha-2-pyridylbenzyl)-7-(alpha-2-pyridylbenzylidene)-, endo-

CAS: 5014-12-0
Molecular Formula C33H24BrN3O3
Molecular Weight 589.1001 g/mol
LogP 3.8
Topological Polar Surface Area 92.2 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 589.1001
Monoisotopic Mass 589.1001
Heavy Atoms 40
Complexity 1090.0

Chemical Identifiers

CAS Number 5014-12-0
SMILES C1=CC=C(C=C1)C(=C2C3C=C(C2C4C3(C(=O)NC4=O)Br)C(C5=CC=CC=C5)(C6=CC=CC=N6)O)C7=CC=CC=N7
InChIKey RAEZGSPQPBJJRV-UHFFFAOYSA-N

Product Overview

AC1MI3UF (CAS 5014-12-0), with molecular formula C33H24BrN3O3 and molecular weight 589.1001 g/mol. IUPAC: 2-bromo-8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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