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| IUPAC Name: | 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene |
| Description: | 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene is an impurity of Canagliflozin which is a sodium/glucose cotransporter 2 (SGLT2) inhibitor and is used in the treatment of type 2 diabetes and obesity. |
| Molecular Weight: | 361.27 |
| Molecular Formula: | C18H14BrFS |
| Canonical SMILES: | CC1=C(C=C(C=C1)Br)CC2=CC=C(S2)C3=CC=C(C=C3)F |
| InChI: | InChI=1S/C18H14BrFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3 |
| InChI Key: | VLRIERSBZHUCOW-UHFFFAOYSA-N |
| Boiling Point: | 438.3±40.0 °C at 760 mmHg |
| Melting Point: | 101-103°C |
| Density: | 1.388±0.06 g/cm3 |
| Solubility: | Soluble in DMSO (Slightly, Heated), Hexanes (Slightly, Heated) |
| Appearance: | White to Off-white Solid |
| MDL: | MFCD21496340 |
| LogP: | 6.21590 |
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