3-chlorophenol
- CAS:
- Other names:
- SMILES: Oc1cccc(Cl)c1
Properties
| MW | HBA | HBD | LogP | TPSA | Rot. | Comp. | Fsp3C | Brutto formula |
|---|---|---|---|---|---|---|---|---|
| 128.56 | 1 | 1 | 2.05 | 20.23 | 0 | 21 | 0.00 | C6H5ClO |
Availability
| Suppliers | Supplier IDs | Storage | Storage ID | Quantity | Class | Added |
|---|---|---|---|---|---|---|
| SF_C779 | 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-chlorophenol] | 2.30 | 1.20 | 2.0 | 20.0 | UV-vis spectroscopy | Miguel A. Garcia-Garibay 2001 |
| [a-Cyclodextrin](1).[3-chlorophenol] | 2.51 | 1.15 | 2.0 | 20.0 | NMR spectroscopy | Miguel A. Garcia-Garibay 2001 |
| [b-Cyclodextrin](1).[3-chlorophenol] | 2.30 | 1.67 | 2.0 | 20.0 | UV-vis spectroscopy | Miguel A. Garcia-Garibay 2001 |
| [b-Cyclodextrin](1).[3-chlorophenol] | 2.48 | 1.08 | 7.0 | 20.0 | NMR spectroscopy | Miguel A. Garcia-Garibay 2001 |