5Z8
Summary
| Name: | 4-chloro-7-nitrobenzofurazan |
| Synonyms: | 4-chloranyl-7-nitro-2,1,3-benzoxadiazole NBD-Cl; 4-nitro-2,1,3-benzoxadiazole (post-reaction) |
| Formula: | C6 H2 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 199.551 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 4-chloranyl-7-nitro-2,1,3-benzoxadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H |
| InChIKey | InChI | 1.06 | IGHBXJSNZCFXNK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc(Cl)c2nonc12 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc(Cl)c2nonc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c2c(c1[N+](=O)[O-])non2)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c2c(c1[N+](=O)[O-])non2)Cl |
