AC1O3E1E
methyl 6-[(Z)-2-(2-iodo-6-methoxyphenyl)-1-nitroethenyl]-1,3-benzodioxole-5-carboxylate
Also Known As: 3,4-dihydroisoquinoline-n-oxide|methyl 6-[(Z)-2-(2-iodo-6-methoxyphenyl)-1-nitroethenyl]-1,3-benzodioxole-5-carboxylate|methyl 6-[2-(2-iodo-6-methoxyphenyl)-1-nitroethenyl]-1,3-benzodioxole-5-carboxylate
CAS: 5449-99-0
| Molecular Formula | C18H14INO7 |
|---|---|
| Molecular Weight | 482.9815 g/mol |
| LogP | 3.5899 |
| Topological Polar Surface Area | 97.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.9815 |
| Monoisotopic Mass | 482.9815 |
| Heavy Atoms | 27 |
| Complexity | 954.9666 |
Chemical Identifiers
| CAS Number | 5449-99-0 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)I)/C=C(/C2=CC3=C(C=C2C(=O)OC)OCO3)\[N+](=O)[O-] |
Product Overview
AC1O3E1E (CAS 5449-99-0), with molecular formula C18H14INO7 and molecular weight 482.9815 g/mol. IUPAC: methyl 6-[(Z)-2-(2-iodo-6-methoxyphenyl)-1-nitroethenyl]-1,3-benzodioxole-5-carboxylate.
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.
View MSDS →
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