3EU
Summary
| Name: | (3,5-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 | 12.01 | (3,5-dichlorophenyl)acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[3,5-bis(chloranyl)phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12) |
| InChIKey | InChI | 1.03 | RERINLRFXYGZEE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1cc(Cl)cc(Cl)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1cc(Cl)cc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(cc(cc1Cl)Cl)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cc(cc1Cl)Cl)CC(=O)O |
