5KX
Summary
| Name: | 2-chloro-1H-imidazole |
| Formula: | C3 H3 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 102.522 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-1H-imidazole |
| OpenEye OEToolkits | 1.9.2 | 2-chloranyl-1H-imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1nccn1 |
| InChI | InChI | 1.03 | InChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6) |
| InChIKey | InChI | 1.03 | OCVXSFKKWXMYPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1[nH]ccn1 |
| SMILES | CACTVS | 3.385 | Clc1[nH]ccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cnc([nH]1)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cnc([nH]1)Cl |
