U2W
Summary
| Name: | 4,5-dichloro-6-nitropyridazin-3(2H)-one |
| Formula: | C4 H Cl2 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 209.975 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4,5-dichloro-6-nitropyridazin-3(2H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 4,5-bis(chloranyl)-3-nitro-1~{H}-pyridazin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | ClC1=C(Cl)C(=O)NN=C1[N+](=O)[O-] |
| InChI | InChI | 1.06 | InChI=1S/C4HCl2N3O3/c5-1-2(6)4(10)8-7-3(1)9(11)12/h(H,8,10) |
| InChIKey | InChI | 1.06 | SCNATHDZNWMBOX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)C1=NNC(=O)C(=C1Cl)Cl |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)C1=NNC(=O)C(=C1Cl)Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1(=C(C(=NNC1=O)[N+](=O)[O-])Cl)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1(=C(C(=NNC1=O)[N+](=O)[O-])Cl)Cl |
