A1JCY
Summary
| Name: | 6,7-bis(bromanyl)-4,5-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 | 6,7-bis(bromanyl)-4,5-bis(fluoranyl)-1~{H}-benzotriazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6HBr2F2N3/c7-1-2(8)5-6(12-13-11-5)4(10)3(1)9/h(H,11,12,13) |
| InChIKey | InChI | 1.06 | LQPDTMCAGCQHDV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1c(F)c2nn[nH]c2c(Br)c1Br |
| SMILES | CACTVS | 3.385 | Fc1c(F)c2nn[nH]c2c(Br)c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c12c(c(c(c(c1Br)Br)F)F)nn[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c12c(c(c(c(c1Br)Br)F)F)nn[nH]2 |
