TV6
Summary
| Name: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine |
| Formula: | C9 H11 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 220.096 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11Cl2NO/c1-6(12)5-13-9-3-7(10)2-8(11)4-9/h2-4,6H,5,12H2,1H3/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | YNVNHWOJYTUTFH-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)COc1cc(Cl)cc(Cl)c1 |
| SMILES | CACTVS | 3.385 | C[CH](N)COc1cc(Cl)cc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(COc1cc(cc(c1)Cl)Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(COc1cc(cc(c1)Cl)Cl)N |
