A1IF1
Summary
| Name: | (5-chloranylpyridin-3-yl) 4-ethoxy-2-fluoranyl-benzoate |
| Formula: | C14 H11 Cl F N O3 |
| Formal charge: | 0 |
| Formula weight: | 295.693 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5-chloranylpyridin-3-yl) 4-ethoxy-2-fluoranyl-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H11ClFNO3/c1-2-19-10-3-4-12(13(16)6-10)14(18)20-11-5-9(15)7-17-8-11/h3-8H,2H2,1H3 |
| InChIKey | InChI | 1.06 | YZLWOCVNTNMLKO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(c(F)c1)C(=O)Oc2cncc(Cl)c2 |
| SMILES | CACTVS | 3.385 | CCOc1ccc(c(F)c1)C(=O)Oc2cncc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(c(c1)F)C(=O)Oc2cc(cnc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(c(c1)F)C(=O)Oc2cc(cnc2)Cl |
