TF4
Summary
| Name: | DICHLORO-ACETIC ACID |
| Formula: | C2 H2 Cl2 O2 |
| Formal charge: | 0 |
| Formula weight: | 128.942 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | dichloroacetic acid |
| OpenEye OEToolkits | 1.5.0 | 2,2-dichloroethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClC(Cl)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(Cl)Cl |
| SMILES | CACTVS | 3.341 | OC(=O)C(Cl)Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)(Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)(Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6) |
| InChIKey | InChI | 1.03 | JXTHNDFMNIQAHM-UHFFFAOYSA-N |
