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| IUPAC Name: | 3-bromo-2-nitrobenzaldehyde |
| Description: | 3-Bromo-2-nitrobenzaldehyde is an intermediate in the synthesis of peptidomimetic BACE1 inhibitor. |
| Molecular Weight: | 230.02 |
| Molecular Formula: | C7H4BrNO3 |
| Canonical SMILES: | C1=CC(=C(C(=C1)Br)[N+](=O)[O-])C=O |
| InChI: | InChI=1S/C7H4BrNO3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-4H |
| InChI Key: | DAZQBQQNIUAQAV-UHFFFAOYSA-N |
| Melting Point: | 84 - 87°C |
| Solubility: | Chloroform (Slightly), Methanol (Slightly) |
| Appearance: | Pale Yellow Solid |
| Storage: | 4°C, Hygroscopic |
| References: | Butini, S., et al. Euro. J. Med. Chem., 70, 233 (2013); Bursavich, M. G., et al. Bioorg. Med. Chem. Lett., 23, 6829 (2013). |
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