KM1
Summary
| Name: | 5-chloro-8-[(3-chlorobenzyl)oxy]quinoline |
| Formula: | C16 H11 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 304.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-8-[(3-chlorobenzyl)oxy]quinoline |
| OpenEye OEToolkits | 1.7.0 | 5-chloro-8-[(3-chlorophenyl)methoxy]quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(c1)COc2ccc(Cl)c3cccnc23 |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1cccc(COc2ccc(Cl)c3cccnc23)c1 |
| SMILES | CACTVS | 3.370 | Clc1cccc(COc2ccc(Cl)c3cccnc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)Cl)COc2ccc(c3c2nccc3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)Cl)COc2ccc(c3c2nccc3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C16H11Cl2NO/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1-9H,10H2 |
| InChIKey | InChI | 1.03 | BIHPUIBBWFPTCY-UHFFFAOYSA-N |
