K66
Summary
| Name: | [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid |
| Formula: | C11 H9 Br4 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 534.824 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1CC(O)=O |
| SMILES | CACTVS | 3.352 | CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br |
| InChI | InChI | 1.03 | InChI=1S/C11H9Br4N3O2/c1-17(2)11-16-9-7(14)5(12)6(13)8(15)10(9)18(11)3-4(19)20/h3H2,1-2H3,(H,19,20) |
| InChIKey | InChI | 1.03 | PHAOTASRLQMKBE-UHFFFAOYSA-N |
