A1IGD
Summary
| Name: | 2,4-dinitroiodobenzene |
| Synonyms: | 1-iodanyl-2,4-dinitro-benzene |
| Formula: | C6 H3 I N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 294.003 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-iodanyl-2,4-dinitro-benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H3IN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H |
| InChIKey | InChI | 1.06 | FXMKXMJLXRTQSW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc(I)c(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc(I)c(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])I |
