3,5-DinitroBenzoic acid
- CAS:
- Other names: Dinitrobenzoic acid; DNBA; 3-Carboxy-1,5-Dinitrobenzene; 3,5-Dinitrobenzoic acid
- SMILES: OC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 212.12 | 4 | 1 | 2.25 | 128.94 | 3 | 61 | 0.00 | C7H4N2O6 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| nt1223 | None | Jan. 1, 2023 |
Bar codes
| Plate barcode | Sample barcode |
|---|---|
PAINS
| Identified PAINS |
|---|
| Not checked |
Supramolecules
| Name | log K | SD | pH | T(°C) | Method | Ref |
|---|---|---|---|---|---|---|
| [b-Cyclodextrin](1).[3,5-DinitroBenzoic acid] | 3.62 | 25.0 | Kenneth A. Connors 1995 | |||