XHB
Summary
| Name: | 2,4,6-trifluorobenzaldehyde |
| Formula: | C7 H3 F3 O |
| Formal charge: | 0 |
| Formula weight: | 160.093 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4,6-trifluorobenzaldehyde |
| OpenEye OEToolkits | 2.0.7 | 2,4,6-tris(fluoranyl)benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=Cc1c(F)cc(F)cc1F |
| InChI | InChI | 1.06 | InChI=1S/C7H3F3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H |
| InChIKey | InChI | 1.06 | KPJIEPBITZLHPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(F)c(C=O)c(F)c1 |
| SMILES | CACTVS | 3.385 | Fc1cc(F)c(C=O)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1F)C=O)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1F)C=O)F)F |
