K68
Summary
| Name: | (4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetic acid |
| Formula: | C9 H4 Br4 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 491.756 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 2-(4,5,6,7-tetrabromobenzimidazol-1-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12 |
| SMILES | CACTVS | 3.352 | OC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br |
| InChI | InChI | 1.03 | InChI=1S/C9H4Br4N2O2/c10-4-5(11)7(13)9-8(6(4)12)14-2-15(9)1-3(16)17/h2H,1H2,(H,16,17) |
| InChIKey | InChI | 1.03 | WIMPWBKZHKEQQS-UHFFFAOYSA-N |
