4Z4
Summary
| Name: | 2,4-dichloro-5-fluorobenzoic acid |
| Formula: | C7 H3 Cl2 F O2 |
| Formal charge: | 0 |
| Formula weight: | 209.002 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,4-dichloro-5-fluorobenzoic acid |
| OpenEye OEToolkits | 1.9.2 | 2,4-bis(chloranyl)-5-fluoranyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(c(C(=O)O)cc(c1Cl)F)Cl |
| InChI | InChI | 1.03 | InChI=1S/C7H3Cl2FO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12) |
| InChIKey | InChI | 1.03 | KZCWJHUTTSVCRO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(F)c(Cl)cc1Cl |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(F)c(Cl)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c(c(cc(c1F)Cl)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1c(c(cc(c1F)Cl)Cl)C(=O)O |
