2-Hydroxy-3-iodo-2,4,6-cycloheptatrien-1-one p-nitrobenzoate
(2-iodo-7-oxocyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate
Also Known As: BRN 2001865, WLN: L7VJ BOVR DNW& CI, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-3-IODO-, p-NITROBENZOATE, J48.602G, 2-Hydroxy-3-iodo-2,4,6-cycloheptatrien-1-one p-nitrobenzoate, 2-iodo-7-oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate, (2-iodo-7-oxocyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate, 2-Hydroxy-3-iodo-2,6-cycloheptatrien-1-one p-nitrobenzoate, 2-Iodo-7-oxo-1,3,5-cycloheptatrien-1-yl=p-nitrobenzoate, 2,6-Cycloheptatrien-1-one, 2-hydroxy-3-iodo-, p-nitrobenzoate
| Molecular Formula | C14H8INO5 |
|---|---|
| Molecular Weight | 396.94473 g/mol |
| LogP | 2.78 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.94473 |
| Heavy Atoms | 21 |
| Complexity | 758 |
Chemical Identifiers
| CAS Number | 2961-87-7 |
|---|---|
| SMILES | C1=CC(=C(C(=O)C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])I |
Product Overview
2-Hydroxy-3-iodo-2,4,6-cycloheptatrien-1-one p-nitrobenzoate (CAS 2961-87-7), with molecular formula C14H8INO5 and molecular weight 396.94473 g/mol. IUPAC: (2-iodo-7-oxocyclohepta-1,3,5-trien-1-yl) 4-nitrobenzoate.
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