DUG
Summary
| Name: | (3-chloro-4-fluorophenoxy)acetaldehyde |
| Formula: | C8 H6 Cl F O3 |
| Formal charge: | 0 |
| Formula weight: | 204.583 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3-chloro-4-fluorophenoxy)acetaldehyde |
| OpenEye OEToolkits | 2.0.7 | 2-(3-chloranyl-4-fluoranyl-phenoxy)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1ccc(cc1Cl)OCC=O |
| InChI | InChI | 1.06 | InChI=1S/C8H6ClFO3/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | InChI | 1.06 | JHDKSQRVPAURMA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)COc1ccc(F)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)COc1ccc(F)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1OCC(=O)O)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1OCC(=O)O)Cl)F |
