Y1C
Summary
| Name: | 4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one |
| Formula: | C6 H7 Br2 N3 O |
| Formal charge: | 0 |
| Formula weight: | 296.947 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one |
| OpenEye OEToolkits | 2.0.7 | 4-[4,5-bis(bromanyl)-1,2,3-triazol-2-yl]butan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)CCn1nc(Br)c(Br)n1 |
| InChI | InChI | 1.06 | InChI=1S/C6H7Br2N3O/c1-4(12)2-3-11-9-5(7)6(8)10-11/h2-3H2,1H3 |
| InChIKey | InChI | 1.06 | RMKPYMITZGUNDQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)CCn1nc(Br)c(Br)n1 |
| SMILES | CACTVS | 3.385 | CC(=O)CCn1nc(Br)c(Br)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)CCn1nc(c(n1)Br)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)CCn1nc(c(n1)Br)Br |
