VIM
Summary
| Name: | 2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid |
| Formula: | C13 H8 Cl F O3 |
| Formal charge: | 0 |
| Formula weight: | 266.652 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H8ClFO3/c14-10-2-1-3-11(12(10)13(16)17)18-9-6-4-8(15)5-7-9/h1-7H,(H,16,17) |
| InChIKey | InChI | 1.06 | XDDFAQWRNVXRFE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1c(Cl)cccc1Oc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1c(Cl)cccc1Oc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)C(=O)O)Oc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)C(=O)O)Oc2ccc(cc2)F |
