KNL
Summary
| Name: | (2,6-dichlorophenoxy)acetic acid |
| Formula: | C8 H6 Cl2 O3 |
| Formal charge: | 0 |
| Formula weight: | 221.037 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2,6-dichlorophenoxy)acetic acid |
| OpenEye OEToolkits | 1.7.0 | 2-(2,6-dichlorophenoxy)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(Cl)c1OCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)COc1c(Cl)cccc1Cl |
| SMILES | CACTVS | 3.370 | OC(=O)COc1c(Cl)cccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)Cl)OCC(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)Cl)OCC(=O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H6Cl2O3/c9-5-2-1-3-6(10)8(5)13-4-7(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | InChI | 1.03 | KHZWIIFEFQBNKL-UHFFFAOYSA-N |
