IUPAC Name: | 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzamide |
Description: | 4- [(1, 3- Dihydro- 1- hydroxy- 2, 1- benzoxaborol- 5- yl) oxy] -benzamide is used in the preparation of substituted benzoxaborole and related boron-containing small molecules as anti-inflammatory agents. |
Molecular Weight: | 269.06 |
Molecular Formula: | C14H12BNO4 |
Canonical SMILES: | B1(C2=C(CO1)C=C(C=C2)OC3=CC=C(C=C3)C(=O)N)O |
InChI: | InChI=1S/C14H12BNO4/c16-14(17)9-1-3-11(4-2-9)20-12-5-6-13-10(7-12)8-19-15(13)18/h1-7,18H,8H2,(H2,16,17) |
InChI Key: | BNNSMPLZLMPJQX-UHFFFAOYSA-N |
Melting Point: | >188°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly, Heated) |
Appearance: | Pale Red to Red Solid |
Storage: | -20°C, Hygroscopic |
References: | Akama, T., et al. PCT Int. Appl. (2009), WO 2009111676 A2 20090911.. |
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