0CU
Summary
| Name: | 5,7-dichloro-1H-benzotriazole |
| Formula: | C6 H3 Cl2 N3 |
| Formal charge: | 0 |
| Formula weight: | 188.014 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5,7-dichloro-1H-benzotriazole |
| OpenEye OEToolkits | 1.7.6 | 5,7-bis(chloranyl)-1H-benzotriazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc2nnnc2c(Cl)c1 |
| InChI | InChI | 1.03 | InChI=1S/C6H3Cl2N3/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H,(H,9,10,11) |
| InChIKey | InChI | 1.03 | JIEIAVACOCLACU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1cc(Cl)c2[nH]nnc2c1 |
| SMILES | CACTVS | 3.370 | Clc1cc(Cl)c2[nH]nnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(cc(c2c1nn[nH]2)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cc(c2c1nn[nH]2)Cl)Cl |
