8A2
Summary
| Name: | 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal |
| Formula: | C9 H7 Br F2 O |
| Formal charge: | 0 |
| Formula weight: | 249.052 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7BrF2O/c10-7-5-8(11)6(2-1-3-13)4-9(7)12/h3-5H,1-2H2 |
| InChIKey | InChI | 1.03 | JXYLPBJZJRAAJO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(CCC=O)c(F)cc1Br |
| SMILES | CACTVS | 3.385 | Fc1cc(CCC=O)c(F)cc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(cc(c1F)Br)F)CCC=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(cc(c1F)Br)F)CCC=O |
