4G2
Summary
| Name: | 2-(3-CHLORO-PHENYL)-5-METHYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID |
| Formula: | C11 H9 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 236.654 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid |
| OpenEye OEToolkits | 1.6.1 | 2-(3-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cccc(c1)c2nc(c(n2)C)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1[nH]c(nc1C(O)=O)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.352 | Cc1[nH]c(nc1C(O)=O)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | Cc1c(nc([nH]1)c2cccc(c2)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | Cc1c(nc([nH]1)c2cccc(c2)Cl)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H9ClN2O2/c1-6-9(11(15)16)14-10(13-6)7-3-2-4-8(12)5-7/h2-5H,1H3,(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.03 | AZJGRTCDZBQXFC-UHFFFAOYSA-N |
