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| IUPAC Name: | 2-bromo-5-methoxybenzoic acid |
| Description: | 2-Bromo-5-methoxybenzoic acid (CAS# 22921-68-2) is an intermediate in the synthesis of more complex pharmaceutical and biologically active compounds. It is used in the synthesis of benzylisothioureas as potent divalent metal transporter 1 (DMT1) inhibitors. |
| Molecular Weight: | 231.04 |
| Molecular Formula: | C8H7BrO3 |
| Canonical SMILES: | COC1=CC(=C(C=C1)Br)C(=O)O |
| InChI: | InChI=1S/C8H7BrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11) |
| InChI Key: | ODHJOROUCITYNF-UHFFFAOYSA-N |
| Boiling Point: | 337.8±27.0°C at 760 mmHg |
| Melting Point: | 161-162°C |
| Purity: | 95% |
| Density: | 1.625±0.06 g/cm3 |
| Solubility: | Soluble in Chloroform, DMSO, Methanol |
| Appearance: | White to Off-white Solid |
| Storage: | Store at -20°C |
| MDL: | MFCD00020214 |
| LogP: | 2.15590 |
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2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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