NKE
Summary
| Name: | 4,7-bis(bromanyl)-1~{H}-benzotriazole |
| Formula: | C6 H3 Br2 N3 |
| Formal charge: | 0 |
| Formula weight: | 276.916 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4,7-bis(bromanyl)-1~{H}-benzotriazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H3Br2N3/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H,(H,9,10,11) |
| InChIKey | InChI | 1.03 | OWEQSMBFLCRRMV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(Br)c2nn[nH]c12 |
| SMILES | CACTVS | 3.385 | Brc1ccc(Br)c2nn[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1Br)[nH]nn2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c2c(c1Br)[nH]nn2)Br |
