AC1LK5TP
[4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate
Also Known As: AK-968/15254238|[4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate|4-[(2-{2-chloro-4-nitrophenyl}-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-2-methoxyphenyl 2-methylpropanoate|(E)-4-((2-(2-chloro-4-nitrophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-methoxyphenyl isobutyrate|4-{(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl 2-methylpropanoate|4-{[2-(2-CHLORO-4-NITROPHENYL)-5-OXO-1,3-OXAZOL-4(5H)-YLIDEN]METHYL}-2-METHOXYPHENYL 2-METHYLPROPANOATE
| Molecular Formula | C21H17ClN2O7 |
|---|---|
| Molecular Weight | 444.07242 g/mol |
| LogP | 4.1627 |
| Topological Polar Surface Area | 117.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.07242 |
| Monoisotopic Mass | 444.07242 |
| Heavy Atoms | 31 |
| Complexity | 1138.5433 |
Chemical Identifiers
| CAS Number | 445287-06-9 |
|---|---|
| SMILES | CC(C)C(=O)OC1=C(C=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC |
Product Overview
AC1LK5TP (CAS 445287-06-9), with molecular formula C21H17ClN2O7 and molecular weight 444.07242 g/mol. IUPAC: [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate.
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