HXX
Summary
| Name: | 3,6-dichloro-2-hydroxybenzoic acid |
| Synonyms: | 3,6 dichlorosalicylic acid |
| Formula: | C7 H4 Cl2 O3 |
| Formal charge: | 0 |
| Formula weight: | 207.011 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,6-dichloro-2-hydroxybenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 3,6-dichloro-2-hydroxy-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(Cl)c(C(=O)O)c1O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1c(Cl)ccc(Cl)c1O |
| SMILES | CACTVS | 3.341 | OC(=O)c1c(Cl)ccc(Cl)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1Cl)C(=O)O)O)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(c(c1Cl)C(=O)O)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12) |
| InChIKey | InChI | 1.03 | FKIKPQHMWFZFEB-UHFFFAOYSA-N |
