34Z
Summary
| Name: | 3,4-dichlorobenzoate |
| Formula: | C7 H4 Cl2 O2 |
| Formal charge: | 0 |
| Formula weight: | 191.011 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,4-dichlorobenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 3,4-dichlorobenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(C(=O)O)cc1Cl |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc(Cl)c(Cl)c1 |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccc(Cl)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C(=O)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1C(=O)O)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11) |
| InChIKey | InChI | 1.03 | VPHHJAOJUJHJKD-UHFFFAOYSA-N |
