2CL
Summary
| Name: | (2,6-DICHLOROPHENYL)ACETIC ACID |
| Formula: | C8 H6 Cl2 O2 |
| Formal charge: | 0 |
| Formula weight: | 205.038 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2,6-dichlorophenyl)acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(2,6-dichlorophenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cccc(Cl)c1CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1c(Cl)cccc1Cl |
| SMILES | CACTVS | 3.341 | OC(=O)Cc1c(Cl)cccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)CC(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1)Cl)CC(=O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H6Cl2O2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | InChI | 1.03 | SFAILOOQFZNOAU-UHFFFAOYSA-N |
