3-nitrophenol
- CAS:
- Other names:
- SMILES: Oc1cccc(c1)[N+]([O-])=O
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 139.11 | 2 | 1 | 1.82 | 66.05000000000001 | 1 | 35 | 0.00 | C6H5NO3 |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| JN_54 | 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 |
|---|---|---|---|---|---|---|
| [a-Cyclodextrin](1).[3-nitrophenol] | 2.15 | 1.78 | 3.5 | 25.0 | absorption spectroscopy, NMR | Sanyo Hamai 1997 |
| [b-Cyclodextrin](1).[3-nitrophenol] | 2.11 | 1.00 | 3.5 | 25.0 | absorption spectroscopy, NMR | Sanyo Hamai 1997 |