9QT
Summary
| Name: | 2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid |
| Formula: | C16 H9 Cl F N O2 |
| Formal charge: | 0 |
| Formula weight: | 301.7 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H9ClFNO2/c17-10-5-9(6-11(18)7-10)15-8-13(16(20)21)12-3-1-2-4-14(12)19-15/h1-8H,(H,20,21) |
| InChIKey | InChI | 1.03 | NIKQCFUMVUWEJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(nc2ccccc12)c3cc(F)cc(Cl)c3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(nc2ccccc12)c3cc(F)cc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(cc(n2)c3cc(cc(c3)Cl)F)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(cc(n2)c3cc(cc(c3)Cl)F)C(=O)O |
