AC1OIIN9 structure

AC1OIIN9

3-[(4Z)-4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]propanenitrile

Also Known As: AK-968/15256482|SR-01000675685-2|3-[(4Z)-4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]propanenitrile|3-[4-(3-bromo-4-ethoxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile|3-[(4Z)-4-(3-bromo-4-ethoxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile

CAS: 445288-10-8
Molecular Formula C17H18BrN3O3
Molecular Weight 391.05316 g/mol
LogP 3.37158
Topological Polar Surface Area 74.92 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 391.05316
Monoisotopic Mass 391.05316
Heavy Atoms 24
Complexity 750.18304

Chemical Identifiers

CAS Number 445288-10-8
SMILES CCOC1=C(C=C(C=C1Br)/C=C\2/C(=NN(C2=O)CCC#N)C)OC

Product Overview

AC1OIIN9 (CAS 445288-10-8), with molecular formula C17H18BrN3O3 and molecular weight 391.05316 g/mol. IUPAC: 3-[(4Z)-4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]propanenitrile.

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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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