HQJ
Summary
| Name: | 4-(3-chlorophenyl)-1H-imidazole |
| Formula: | C9 H7 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 178.618 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(3-chlorophenyl)-1H-imidazole |
| OpenEye OEToolkits | 2.0.6 | 4-(3-chlorophenyl)-1~{H}-imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cccc(c1)c2cncn2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H7ClN2/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,(H,11,12) |
| InChIKey | InChI | 1.03 | YAJYVAFOVNSPBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(c1)c2c[nH]cn2 |
| SMILES | CACTVS | 3.385 | Clc1cccc(c1)c2c[nH]cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)c2c[nH]cn2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)c2c[nH]cn2 |
