3-Nitro-N-[5-nitro-1-(3-nitro-benzoyl)-1H-benzo[c]isothiazol-(3Z)-ylidene]-benzamide structure
|
Common Name | 3-Nitro-N-[5-nitro-1-(3-nitro-benzoyl)-1H-benzo[c]isothiazol-(3Z)-ylidene]-benzamide | ||
|---|---|---|---|---|
| CAS Number | 106532-77-8 | Molecular Weight | 493.40600 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C21H11N5O8S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 3-Nitro-N-[5-nitro-1-(3-nitro-benzoyl)-1H-benzo[c]isothiazol-(3Z)-ylidene]-benzamide |
|---|
| Molecular Formula | C21H11N5O8S |
|---|---|
| Molecular Weight | 493.40600 |
| Exact Mass | 493.03300 |
| PSA | 217.13000 |
| LogP | 5.42660 |
| InChIKey | NJNOPWFKMLFGPF-UHFFFAOYSA-N |
| SMILES | O=C(N=c1sn(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc([N+](=O)[O-])cc12)c1cccc([N+](=O)[O-])c1 |