A1BDA
Summary
| Name: | 5-chloro-2,3-dihydro-1H-inden-1-one |
| Synonyms: | 5-chloro-1-indanone |
| Formula: | C9 H7 Cl O |
| Formal charge: | 0 |
| Formula weight: | 166.604 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-chloro-2,3-dihydro-1H-inden-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 5-chloranyl-2,3-dihydroinden-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc2C(=O)CCc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2 |
| InChIKey | InChI | 1.06 | MEDSHTHCZIOVPU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2C(=O)CCc2c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc2C(=O)CCc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1Cl)CCC2=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1Cl)CCC2=O |
