HML
Summary
| Name: | 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid |
| Formula: | C12 H9 F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 270.207 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H9F3N2O2/c13-12(14,15)9-3-1-8(2-4-9)7-17-6-5-16-10(17)11(18)19/h1-6H,7H2,(H,18,19) |
| InChIKey | InChI | 1.03 | ZFSDMZSXZJAZHR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1nccn1Cc2ccc(cc2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)c1nccn1Cc2ccc(cc2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Cn2ccnc2C(=O)O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Cn2ccnc2C(=O)O)C(F)(F)F |
