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
| 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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