5QD
Summary
| Name: | ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide |
| Formula: | C9 H9 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 218.08 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9Cl2NO/c1-6(13)12-5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | MDSIORNLJCVXLC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCc1c(Cl)cccc1Cl |
| SMILES | CACTVS | 3.385 | CC(=O)NCc1c(Cl)cccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(=O)NCc1c(cccc1Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=O)NCc1c(cccc1Cl)Cl |
