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| IUPAC Name: | methyl 2-bromo-3-methylimidazole-4-carboxylate |
| Description: | Methyl 2-Bromo-1-methylimidazole-5-carboxylate (CAS# 120781-02-4) is used for the synthesis of anti-tuberculosis drug PA-824 against M. tuberculosis. |
| Molecular Weight: | 219.04 |
| Molecular Formula: | C6H7BrN2O2 |
| Canonical SMILES: | CN1C(=CN=C1Br)C(=O)OC |
| InChI: | InChI=1S/C6H7BrN2O2/c1-9-4(5(10)11-2)3-8-6(9)7/h3H,1-2H3 |
| InChI Key: | ZTQDLPCCSZIZFV-UHFFFAOYSA-N |
| Boiling Point: | 316.5 °C at 760 mmHg |
| Density: | 1.67 g/cm3 |
| Appearance: | Yellow solid |
| MDL: | MFCD02179563 |
| LogP: | 0.96920 |
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Carbonyl Compounds
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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