1P7
Summary
| Name: | 6-chloro-2,3-dihydro-1H-isoindol-1-one |
| Formula: | C8 H6 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 167.592 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chloro-2,3-dihydro-1H-isoindol-1-one |
| OpenEye OEToolkits | 1.7.6 | 6-chloranyl-2,3-dihydroisoindol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc2C(=O)NCc2cc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H6ClNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11) |
| InChIKey | InChI | 1.03 | VCEOKEOSVQLRNW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccc2CNC(=O)c2c1 |
| SMILES | CACTVS | 3.370 | Clc1ccc2CNC(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)C(=O)NC2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)C(=O)NC2 |
