TBS
Summary
| Name: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE |
| Synonyms: | TETRABROMO-2-BENZOTRIAZOLE |
| Formula: | C6 H Br4 N3 |
| Formal charge: | 0 |
| Formula weight: | 434.708 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4,5,6,7-tetrabromo-1H-benzotriazole |
| OpenEye OEToolkits | 1.5.0 | 4,5,6,7-tetrabromo-1H-benzotriazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc2c1c(nnn1)c(Br)c(Br)c2Br |
| SMILES_CANONICAL | CACTVS | 3.341 | Brc1c(Br)c(Br)c2nn[nH]c2c1Br |
| SMILES | CACTVS | 3.341 | Brc1c(Br)c(Br)c2nn[nH]c2c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2 |
| InChI | InChI | 1.03 | InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13) |
| InChIKey | InChI | 1.03 | OMZYUVOATZSGJY-UHFFFAOYSA-N |
