AC1L3YX2
(1-methyl-5-nitroimidazol-2-yl)methyl 3,4,5-triacetyloxybenzoate
Also Known As: (1-Methyl-5-nitro-1H-imidazol-2-yl)methyl 3,4,5-tris(acetyloxy)benzoate|Benzoic acid, 3,4,5-tris(acetyloxy)-, (1-methyl-5-nitro-1H-imidazol-2-yl)methyl ester|(1-methyl-5-nitroimidazol-2-yl)methyl 3,4,5-triacetyloxybenzoate
CAS: 104575-37-3
| Molecular Formula | C18H17N3O10 |
|---|---|
| Molecular Weight | 435.0914 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 435.0914 |
| Monoisotopic Mass | 435.0914 |
| Heavy Atoms | 31 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 104575-37-3 |
|---|---|
| SMILES | CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC2=NC=C(N2C)[N+](=O)[O-] |
| InChIKey | BJRSXYCKMOHYOC-UHFFFAOYSA-N |
Product Overview
AC1L3YX2 (CAS 104575-37-3), with molecular formula C18H17N3O10 and molecular weight 435.0914 g/mol. IUPAC: (1-methyl-5-nitroimidazol-2-yl)methyl 3,4,5-triacetyloxybenzoate.
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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