A1IY7
Summary
| Name: | 5-(2~{H}-indazol-3-yl)-2-methyl-phenol |
| Formula: | C14 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 224.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(2~{H}-indazol-3-yl)-2-methyl-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H12N2O/c1-9-6-7-10(8-13(9)17)14-11-4-2-3-5-12(11)15-16-14/h2-8,17H,1H3,(H,15,16) |
| InChIKey | InChI | 1.06 | NWZPHRUFHASTQV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1O)c2[nH]nc3ccccc23 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1O)c2[nH]nc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1O)c2c3ccccc3n[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1O)c2c3ccccc3n[nH]2 |
