JL7
Summary
| Name: | 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid |
| Formula: | C11 H6 F3 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 273.231 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(ccc1c2scc(C(=O)O)n2)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-5H,(H,16,17) |
| InChIKey | InChI | 1.03 | NFDUVSSDGPDOLR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1csc(n1)c2ccc(cc2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)c1csc(n1)c2ccc(cc2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F |
