A1JCX
Summary
| Name: | 5,6-bis(bromanyl)-4,7-bis(fluoranyl)-1~{H}-benzotriazole |
| Formula: | C6 H Br2 F2 N3 |
| Formal charge: | 0 |
| Formula weight: | 312.897 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5,6-bis(bromanyl)-4,7-bis(fluoranyl)-1~{H}-benzotriazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6HBr2F2N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13) |
| InChIKey | InChI | 1.06 | AEHBIHGPHZFKJS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1c(Br)c(Br)c(F)c2nn[nH]c12 |
| SMILES | CACTVS | 3.385 | Fc1c(Br)c(Br)c(F)c2nn[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c12c(c(c(c(c1F)Br)Br)F)nn[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c12c(c(c(c(c1F)Br)Br)F)nn[nH]2 |
