36Y
Summary
| Name: | 4-(4-bromophenyl)-1H-imidazole |
| Formula: | C9 H7 Br N2 |
| Formal charge: | 0 |
| Formula weight: | 223.069 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-bromophenyl)-1H-imidazole |
| OpenEye OEToolkits | 1.9.2 | 4-(4-bromophenyl)-1H-imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc2ccc(c1ncnc1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C9H7BrN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12) |
| InChIKey | InChI | 1.03 | YLIOAWKNPLJMID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(cc1)c2c[nH]cn2 |
| SMILES | CACTVS | 3.385 | Brc1ccc(cc1)c2c[nH]cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1c2c[nH]cn2)Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(ccc1c2c[nH]cn2)Br |
