JTB
Summary
| Name: | 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol |
| Synonyms: | MMG-0358 |
| Formula: | C8 H6 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 195.606 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H6ClN3O/c9-5-1-2-8(13)6(3-5)7-4-10-12-11-7/h1-4,13H,(H,10,11,12) |
| InChIKey | InChI | 1.03 | NBDFMTBYKCBTSW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(Cl)cc1c2cn[nH]n2 |
| SMILES | CACTVS | 3.385 | Oc1ccc(Cl)cc1c2cn[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)c2cn[nH]n2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)c2cn[nH]n2)O |
