A1BL2
Summary
| Name: | 2-[4-(trifluoromethoxy)phenyl]-2H-tetrazole-5-carboxylic acid |
| Formula: | C9 H5 F3 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 274.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-[4-(trifluoromethoxy)phenyl]-2H-tetrazole-5-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 2-[4-(trifluoromethyloxy)phenyl]-1,2,3,4-tetrazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)(F)Oc1ccc(cc1)n1nc(nn1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C9H5F3N4O3/c10-9(11,12)19-6-3-1-5(2-4-6)16-14-7(8(17)18)13-15-16/h1-4H,(H,17,18) |
| InChIKey | InChI | 1.06 | ZXPOJTSLOPXWGR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1nnn(n1)c2ccc(OC(F)(F)F)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1nnn(n1)c2ccc(OC(F)(F)F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1n2nc(nn2)C(=O)O)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1n2nc(nn2)C(=O)O)OC(F)(F)F |
