basic_info |
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| Product_Name: | 1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 6-BROMO-5-HYDROXY-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER |
| CAS: | 823217-81-8 |
| EnglishSynonyms: | 1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 6-BROMO-5-HYDROXY-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER |
| pro_mdlNumber: | MFCD16039109 |
| pro_acceptors: | 7 |
| pro_donors: | 1 |
| pro_smile: | CCOC(=O)c1cc2cc(c(nc2n1C(=O)OC(C)(C)C)Br)O |
| InChi: | InChI=1S/C15H17BrN2O5/c1-5-22-13(20)9-6-8-7-10(19)11(16)17-12(8)18(9)14(21)23-15(2,3)4/h6-7,19H,5H2,1-4H3 |
| InChiKey: | InChIKey=HDIKAJKBHUFMFS-UHFFFAOYSA-N |
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