D4W
Summary
| Name: | 4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol |
| Formula: | C15 H11 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 286.713 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H11ClN2O2/c16-12-3-1-2-4-14(12)18-13(7-8-17-18)11-6-5-10(19)9-15(11)20/h1-9,19-20H |
| InChIKey | InChI | 1.03 | NXZPXDLYOVGQMR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(c(O)c1)c2ccnn2c3ccccc3Cl |
| SMILES | CACTVS | 3.385 | Oc1ccc(c(O)c1)c2ccnn2c3ccccc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)n2c(ccn2)c3ccc(cc3O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)n2c(ccn2)c3ccc(cc3O)O)Cl |
