A1AXQ
Summary
| Name: | 2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole |
| Formula: | C9 H7 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 239.069 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole |
| OpenEye OEToolkits | 2.0.7 | 2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1nnc(o1)c1cc(Br)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3 |
| InChIKey | InChI | 1.06 | KFORTEWAPHTQIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(nn1)c2cccc(Br)c2 |
| SMILES | CACTVS | 3.385 | Cc1oc(nn1)c2cccc(Br)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nnc(o1)c2cccc(c2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nnc(o1)c2cccc(c2)Br |
