K91
Summary
| Name: | 4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol |
| Formula: | C15 H9 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 306.143 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol |
| OpenEye OEToolkits | 1.7.2 | 4-chloranyl-2-(5-chloranylquinolin-8-yl)oxy-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3cc(Oc1ccc(Cl)c2cccnc12)c(O)cc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(Cl)cc1Oc2ccc(Cl)c3cccnc23 |
| SMILES | CACTVS | 3.370 | Oc1ccc(Cl)cc1Oc2ccc(Cl)c3cccnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc2c(ccc(c2nc1)Oc3cc(ccc3O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc2c(ccc(c2nc1)Oc3cc(ccc3O)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C15H9Cl2NO2/c16-9-3-5-12(19)14(8-9)20-13-6-4-11(17)10-2-1-7-18-15(10)13/h1-8,19H |
| InChIKey | InChI | 1.03 | PXDPCRTVJVDTRN-UHFFFAOYSA-N |
