7SQ
Summary
| Name: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole |
| Formula: | C9 H5 Cl F3 N3 |
| Formal charge: | 0 |
| Formula weight: | 247.604 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H5ClF3N3/c10-8-2-1-6(16-4-3-14-15-16)5-7(8)9(11,12)13/h1-5H |
| InChIKey | InChI | 1.03 | SYIRPQOOLRXDHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cc(ccc1Cl)n2ccnn2 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cc(ccc1Cl)n2ccnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1n2ccnn2)C(F)(F)F)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1n2ccnn2)C(F)(F)F)Cl |
