9R9
Summary
| Name: | 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol |
| Formula: | C13 H15 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 250.724 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol |
| OpenEye OEToolkits | 2.0.6 | 1-(6-chloranyl-1~{H}-indazol-4-yl)cyclohexan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1C(CCCC1)(c3c2cnnc2cc(Cl)c3)O |
| InChI | InChI | 1.03 | InChI=1S/C13H15ClN2O/c14-9-6-11(10-8-15-16-12(10)7-9)13(17)4-2-1-3-5-13/h6-8,17H,1-5H2,(H,15,16) |
| InChIKey | InChI | 1.03 | BMCNEGXEBQNZAQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1(CCCCC1)c2cc(Cl)cc3[nH]ncc23 |
| SMILES | CACTVS | 3.385 | OC1(CCCCC1)c2cc(Cl)cc3[nH]ncc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc2c(c1C3(CCCCC3)O)cn[nH]2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cc2c(c1C3(CCCCC3)O)cn[nH]2)Cl |
