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| IUPAC Name: | methyl 5-bromothiophene-2-carboxylate |
| Description: | Methyl 5-Bromo-2-thiophenecarboxylate (CAS# 62224-19-5) is used as a reagent in the synthesis of trisubstituted isoxazole derivatives which are novel nonsteroidal antagonists of Farnesoid X Receptor (FXR). FXR plays an important role in regulation of cholesterol, lipid and glucose metabolism. |
| Molecular Weight: | 221.07 |
| Molecular Formula: | C6H5BrO2S |
| Canonical SMILES: | COC(=O)C1=CC=C(S1)Br |
| InChI: | InChI=1S/C6H5BrO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3 |
| InChI Key: | QLWUHAQCKDHUNL-UHFFFAOYSA-N |
| Boiling Point: | 251.868 °C at 760 mmHg |
| Density: | 1.662 g/cm3 |
| MDL: | MFCD03233845 |
| LogP: | 2.29720 |
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