TZQ
Summary
| Name: | 5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid |
| Formula: | C12 H8 Cl F O4 |
| Formal charge: | 0 |
| Formula weight: | 270.641 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H8ClFO4/c13-9-5-7(1-3-10(9)14)17-6-8-2-4-11(18-8)12(15)16/h1-5H,6H2,(H,15,16) |
| InChIKey | InChI | 1.03 | UXWZMHGDRKKRHC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1oc(COc2ccc(F)c(Cl)c2)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1oc(COc2ccc(F)c(Cl)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1OCc2ccc(o2)C(=O)O)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1OCc2ccc(o2)C(=O)O)Cl)F |
