AC1NT8H1
2-[[2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzonitrile
Also Known As: AB00103522-01|AO-299/14934015|2-({2-iodo-6-methoxy-4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzonitrile|2-[[2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzonitrile|2-({2-iodo-6-methoxy-4-[(4H-1,2,4-triazol-4-ylimino)methyl]phenoxy}methyl)benzonitrile|(E)-2-((4-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2-iodo-6-methoxyphenoxy)methyl)benzonitrile
| Molecular Formula | C18H14IN5O2 |
|---|---|
| Molecular Weight | 459.01923 g/mol |
| LogP | 3.22418 |
| Topological Polar Surface Area | 85.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.01923 |
| Monoisotopic Mass | 459.01923 |
| Heavy Atoms | 26 |
| Complexity | 964.20795 |
Chemical Identifiers
| CAS Number | 347397-32-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=N/N2C=NN=C2)I)OCC3=CC=CC=C3C#N |
Product Overview
AC1NT8H1 (CAS 347397-32-4), with molecular formula C18H14IN5O2 and molecular weight 459.01923 g/mol. IUPAC: 2-[[2-iodo-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]benzonitrile.
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