0TU
Summary
| Name: | 6-chloroquinolin-2(1H)-one |
| Formula: | C9 H6 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 179.603 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chloroquinolin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 6-chloranyl-1H-quinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2ccc1c(C=CC(=O)N1)c2 |
| InChI | InChI | 1.03 | InChI=1S/C9H6ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12) |
| InChIKey | InChI | 1.03 | OJEBWFGRUPIVSD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2NC(=O)C=Cc2c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc2NC(=O)C=Cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)C=CC(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)C=CC(=O)N2 |
