A1CMY
Summary
| Name: | 2-tert-butyl-4,5-dichloropyridazin-3(2H)-one |
| Formula: | C8 H10 Cl2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 221.084 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-tert-butyl-4,5-dichloropyridazin-3(2H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 2-~{tert}-butyl-4,5-bis(chloranyl)pyridazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | ClC=1C=NN(C(=O)C=1Cl)C(C)(C)C |
| InChI | InChI | 1.06 | InChI=1S/C8H10Cl2N2O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,1-3H3 |
| InChIKey | InChI | 1.06 | ANFVZRTXGLHTNI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)N1N=CC(=C(Cl)C1=O)Cl |
| SMILES | CACTVS | 3.385 | CC(C)(C)N1N=CC(=C(Cl)C1=O)Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C)N1C(=O)C(=C(C=N1)Cl)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C)N1C(=O)C(=C(C=N1)Cl)Cl |
