AC1MIBLI
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-fluorophenoxy)acetate
Also Known As: ML 1033|Acetic acid, (4-fluorophenoxy)-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester|2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-fluorophenoxy)acetate|2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl (4-fluorophenoxy)acetate
CAS: 54504-79-9
| Molecular Formula | C17H17FN4O5 |
|---|---|
| Molecular Weight | 376.1183 g/mol |
| LogP | 0.195 |
| Topological Polar Surface Area | 97.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.1183 |
| Monoisotopic Mass | 376.1183 |
| Heavy Atoms | 27 |
| Complexity | 1097.4397 |
Chemical Identifiers
| CAS Number | 54504-79-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)COC3=CC=C(C=C3)F |
Product Overview
AC1MIBLI (CAS 54504-79-9), with molecular formula C17H17FN4O5 and molecular weight 376.1183 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-(4-fluorophenoxy)acetate.
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.
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