6AV
Summary
| Name: | 5-chloro-2-(1H-imidazol-1-yl)aniline |
| Formula: | C9 H8 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 193.633 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-2-(1H-imidazol-1-yl)aniline |
| OpenEye OEToolkits | 2.0.4 | 5-chloranyl-2-imidazol-1-yl-aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2(c1ccc(Cl)cc1N)ccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C9H8ClN3/c10-7-1-2-9(8(11)5-7)13-4-3-12-6-13/h1-6H,11H2 |
| InChIKey | InChI | 1.03 | NXMIFEKRFFTKOE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(Cl)ccc1n2ccnc2 |
| SMILES | CACTVS | 3.385 | Nc1cc(Cl)ccc1n2ccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(c(cc1Cl)N)n2ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(c(cc1Cl)N)n2ccnc2 |
