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| IUPAC Name: | 2-bromobenzoic acid |
| Description: | 2-Bromobenzoic acid (CAS# 88-65-3) is a sterically hindered ortho-bromo compound that is used as a starting material to synthesize quinazolinones (e.g. 8-Hydroxy-2-methyl-4(3H)-quinazolinone [H948330]). |
| Molecular Weight: | 201.02 |
| Molecular Formula: | C7H5BrO2 |
| Canonical SMILES: | C1=CC=C(C(=C1)C(=O)O)Br |
| InChI: | InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) |
| InChI Key: | XRXMNWGCKISMOH-UHFFFAOYSA-N |
| Boiling Point: | 296.4 °C at 760 mmHg |
| Purity: | 98 % |
| Density: | 1.929 g/cm3 |
| Appearance: | White to light yellow crystal powder |
| Storage: | Sealed in dry. Room temperature. |
| MDL: | MFCD00002402 |
| LogP: | 2.14730 |
| Vapor Pressure: | 0.000827 [mmHg] |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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