I93
Summary
| Name: | 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid |
| Formula: | C11 H8 Cl F O4 |
| Formal charge: | 0 |
| Formula weight: | 258.63 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid |
| OpenEye OEToolkits | 1.7.2 | 4-(2-chloranyl-6-fluoranyl-3-methyl-phenyl)-2,4-bis(oxidanylidene)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc1c(C(=O)CC(=O)C(=O)O)c(Cl)c(cc1)C |
| InChI | InChI | 1.03 | InChI=1S/C11H8ClFO4/c1-5-2-3-6(13)9(10(5)12)7(14)4-8(15)11(16)17/h2-3H,4H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | ZIEFMRIMKUUCBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(F)c(c1Cl)C(=O)CC(=O)C(O)=O |
| SMILES | CACTVS | 3.370 | Cc1ccc(F)c(c1Cl)C(=O)CC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccc(c(c1Cl)C(=O)CC(=O)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccc(c(c1Cl)C(=O)CC(=O)C(=O)O)F |
