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| IUPAC Name: | 3-bromo-2-methylbenzoic acid |
| Description: | 3-Bromo-2-methylbenzoic acid (CAS# 76006-33-2) is a disubstituted benzoic acid used in the preparation of various biologically active compounds such as α-2 adrenoceptor agonists, Smootherned receptor anatogonists and HIV-1 entry inhibitors. |
| Molecular Weight: | 215.04 |
| Molecular Formula: | C8H7BrO2 |
| Canonical SMILES: | CC1=C(C=CC=C1Br)C(=O)O |
| InChI: | InChI=1S/C8H7BrO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11) |
| InChI Key: | BJGKVCKGUBYULR-UHFFFAOYSA-N |
| Boiling Point: | 316.1 °C at 760 mmHg |
| Melting Point: | 152-156 °C |
| Purity: | 98 % |
| Density: | 1.599 g/cm3 |
| Appearance: | White to orange or brown powder |
| Storage: | Room temperature. |
| MDL: | MFCD00270097 |
| LogP: | 2.45570 |
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