KM6
Summary
| Name: | 2-(4-chlorophenyl)-1,3,4-oxadiazole |
| Formula: | C8 H5 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 180.591 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-chlorophenyl)-1,3,4-oxadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H5ClN2O/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H |
| InChIKey | InChI | 1.06 | AYUDXVQMLKGODN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1)c2ocnn2 |
| SMILES | CACTVS | 3.385 | Clc1ccc(cc1)c2ocnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2nnco2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2nnco2)Cl |
