Benzoylmetronildazole
- Product NameBenzoylmetronildazole
- CAS13182-89-3
- MFC13H13N3O4
- MW275.26
- EINECS236-131-7
- MOL File13182-89-3.mol
Chemical Properties
| Melting point | 100 °C |
| Boiling point | 487.7±25.0 °C(Predicted) |
| Density | 1.31±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Practically insoluble in water, freely soluble in methylene chloride, soluble in acetone, slightly soluble in alcohol. |
| form | Solid |
| pka | 2.44±0.34(Predicted) |
| color | White to Off-White |
| Major Application | pharmaceutical pharmaceutical small molecule |
| InChI | InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3 |
| InChIKey | CUUCCLJJOWSASK-UHFFFAOYSA-N |
| SMILES | N1(CCOC(=O)C2C=CC=CC=2)C(C)=NC=C1[N+]([O-])=O |
| CAS DataBase Reference | 13182-89-3(CAS DataBase Reference) |
