A1J1D
Summary
| Name: | 2-(4-chloranylphenoxy)pyridine-3-carboxylic acid |
| Formula: | C12 H8 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 249.65 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-chloranylphenoxy)pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H8ClNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16) |
| InChIKey | InChI | 1.06 | FVAZJGJEENAKRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccnc1Oc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccnc1Oc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)Oc2ccc(cc2)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)Oc2ccc(cc2)Cl)C(=O)O |
