N2Z
Summary
| Name: | 3-(2-chlorophenyl)-4~{H}-1,2,4-triazole |
| Formula: | C8 H6 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 179.606 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(2-chlorophenyl)-4~{H}-1,2,4-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12) |
| InChIKey | InChI | 1.03 | HUJUBANPLITKPV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1c2[nH]cnn2 |
| SMILES | CACTVS | 3.385 | Clc1ccccc1c2[nH]cnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2[nH]cnn2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2[nH]cnn2)Cl |
