4XH
Summary
| Name: | 5-BROMOQUINOLINE |
| Formula: | C9 H6 Br N |
| Formal charge: | 0 |
| Formula weight: | 208.055 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromoquinoline |
| OpenEye OEToolkits | 1.7.6 | 5-bromanylquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cccc2ncccc12 |
| InChI | InChI | 1.03 | InChI=1S/C9H6BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H |
| InChIKey | InChI | 1.03 | CHODTZCXWXCALP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc2ncccc12 |
| SMILES | CACTVS | 3.385 | Brc1cccc2ncccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cccn2)c(c1)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cccn2)c(c1)Br |
