A1AYO
Summary
| Name: | 4-(4,5-dichloro-1H-imidazol-1-yl)aniline |
| Formula: | C9 H7 Cl2 N3 |
| Formal charge: | 0 |
| Formula weight: | 228.078 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4,5-dichloro-1H-imidazol-1-yl)aniline |
| OpenEye OEToolkits | 2.0.7 | 4-[4,5-bis(chloranyl)imidazol-1-yl]aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1ccc(cc1)n1cnc(Cl)c1Cl |
| InChI | InChI | 1.06 | InChI=1S/C9H7Cl2N3/c10-8-9(11)14(5-13-8)7-3-1-6(12)2-4-7/h1-5H,12H2 |
| InChIKey | InChI | 1.06 | BPNGSEJDRLWEPM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)n2cnc(Cl)c2Cl |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)n2cnc(Cl)c2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N)n2cnc(c2Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1N)n2cnc(c2Cl)Cl |
