ZCI
Summary
| Name: | 2-bromo-1H-imidazole |
| Formula: | C3 H3 Br N2 |
| Formal charge: | 0 |
| Formula weight: | 146.973 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-bromo-1H-imidazole |
| OpenEye OEToolkits | 2.0.7 | 2-bromanyl-1~{H}-imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1ncc[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6) |
| InChIKey | InChI | 1.06 | AXHRGVJWDJDYPO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1[nH]ccn1 |
| SMILES | CACTVS | 3.385 | Brc1[nH]ccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnc([nH]1)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc([nH]1)Br |
