TKH
Summary
| Name: | [4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol |
| Formula: | C16 H9 Br F2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 363.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-benzaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H9BrF2N2O/c17-14-8-12(3-1-10(14)9-22)21-6-5-20-16(21)13-4-2-11(18)7-15(13)19/h1-9H |
| InChIKey | InChI | 1.03 | JKGCXLJSFUMVNN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(c(F)c1)c2nccn2c3ccc(C=O)c(Br)c3 |
| SMILES | CACTVS | 3.385 | Fc1ccc(c(F)c1)c2nccn2c3ccc(C=O)c(Br)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1n2ccnc2c3ccc(cc3F)F)Br)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1n2ccnc2c3ccc(cc3F)F)Br)C=O |
