2XR
Summary
| Name: | 2-chloro-1-(1H-indol-3-yl)ethanone |
| Formula: | C10 H8 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 193.63 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-1-(1H-indol-3-yl)ethanone |
| OpenEye OEToolkits | 1.7.6 | 2-chloranyl-1-(1H-indol-3-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClCC(=O)c2c1ccccc1nc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2 |
| InChIKey | InChI | 1.03 | LLZQFAXTCYDVTR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)c1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | ClCC(=O)c1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)C(=O)CCl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)C(=O)CCl |
