5MZ
Summary
| Name: | 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline |
| Formula: | C9 H8 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 209.632 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline |
| OpenEye OEToolkits | 1.7.0 | 3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClCc1nc(no1)c2cc(ccc2)N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1cccc(c1)c2noc(CCl)n2 |
| SMILES | CACTVS | 3.370 | Nc1cccc(c1)c2noc(CCl)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)N)c2nc(on2)CCl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)N)c2nc(on2)CCl |
| InChI | InChI | 1.03 | InChI=1S/C9H8ClN3O/c10-5-8-12-9(13-14-8)6-2-1-3-7(11)4-6/h1-4H,5,11H2 |
| InChIKey | InChI | 1.03 | AHCZAZOXRKPNHL-UHFFFAOYSA-N |
