05R
Summary
| Name: | 2-(3,4-dichlorophenyl)ethanoic acid |
| Formula: | C8 H6 Cl2 O2 |
| Formal charge: | 0 |
| Formula weight: | 205.038 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3,4-dichlorophenyl)acetic acid |
| OpenEye OEToolkits | 1.9.2 | 2-(3,4-dichlorophenyl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | InChI | 1.03 | ZOUPGSMSNQLUNW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1ccc(Cl)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1ccc(Cl)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1CC(=O)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(cc1CC(=O)O)Cl)Cl |
