K2P
Summary
| Name: | 2-(trifluoromethoxy)benzoic acid |
| Formula: | C8 H5 F3 O3 |
| Formal charge: | 0 |
| Formula weight: | 206.119 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(trifluoromethoxy)benzoic acid |
| OpenEye OEToolkits | 2.0.6 | 2-(trifluoromethyloxy)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(c(c1)OC(F)(F)F)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H5F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | InChI | 1.03 | JMYSPFGUBNENSE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1OC(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1OC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)O)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C(=O)O)OC(F)(F)F |
