6SF
Summary
| Name: | 2-[3,4-bis(chloranyl)phenoxy]ethanamine |
| Formula: | C8 H9 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 206.069 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-[3,4-bis(chloranyl)phenoxy]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H9Cl2NO/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5H,3-4,11H2 |
| InChIKey | InChI | 1.03 | RXPLSUNVXZROEH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCOc1ccc(Cl)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | NCCOc1ccc(Cl)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1OCCN)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(c(cc1OCCN)Cl)Cl |
