AC1LD2PU
methyl 2-[(3aR,6aS)-3-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Also Known As: methyl 2-((3aR,6aS)-3-(4-bromophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate|methyl 2-[(3aR,6aS)-3-(4-bromophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate|methyl 2-[(3aR,6aS)-3-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
| Molecular Formula | C19H13BrN2O5 |
|---|---|
| Molecular Weight | 428.0008 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.0008 |
| Monoisotopic Mass | 428.0008 |
| Heavy Atoms | 27 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 1164548-04-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)Br |
| InChIKey | IRDPHMCVNASMCQ-ZBFHGGJFSA-N |
Product Overview
AC1LD2PU (CAS 1164548-04-2), with molecular formula C19H13BrN2O5 and molecular weight 428.0008 g/mol. IUPAC: methyl 2-[(3aR,6aS)-3-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate.
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