NKB
Summary
| Name: | 5,6,7-tris(bromanyl)-1~{H}-benzotriazole |
| Formula: | C6 H2 Br3 N3 |
| Formal charge: | 0 |
| Formula weight: | 355.812 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5,6,7-tris(bromanyl)-1~{H}-benzotriazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H2Br3N3/c7-2-1-3-6(11-12-10-3)5(9)4(2)8/h1H,(H,10,11,12) |
| InChIKey | InChI | 1.03 | UDYRCOANXIWHAL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1cc2nn[nH]c2c(Br)c1Br |
| SMILES | CACTVS | 3.385 | Brc1cc2nn[nH]c2c(Br)c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c2c(c(c(c1Br)Br)Br)[nH]nn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c2c(c(c(c1Br)Br)Br)[nH]nn2 |
