S6B
Summary
| Name: | 3-chloranyl-4-imidazol-1-yl-benzaldehyde |
| Formula: | C10 H9 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 208.644 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3-chloranyl-4-imidazol-1-yl-phenyl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H9ClN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-5,7,14H,6H2 |
| InChIKey | InChI | 1.03 | GOZGKDDBSIDBIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc(n2ccnc2)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | OCc1ccc(n2ccnc2)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CO)Cl)n2ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CO)Cl)n2ccnc2 |
