RL6
Summary
| Name: | 1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone |
| Formula: | C11 H9 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 242.101 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H9Cl2NO/c1-6-3-4-9-10(11(6)13)8(12)5-14(9)7(2)15/h3-5H,1-2H3 |
| InChIKey | InChI | 1.06 | IETDZXPYBWJKDH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)n1cc(Cl)c2c(Cl)c(C)ccc12 |
| SMILES | CACTVS | 3.385 | CC(=O)n1cc(Cl)c2c(Cl)c(C)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1Cl)c(cn2C(=O)C)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1Cl)c(cn2C(=O)C)Cl |
