4-Chlorophenol | SBID = 275 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 95.3 | ||
| Sum Formula: | C6H5ClO | ||
| M / g/mol: | 128.555 | ||
| Complexity: | 66.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags:
- Name: 4-Chlorophenol
- Preferred Abbreviation: 4-Chlorophenol
- IUPAC Name: 4-chlorophenol
- CAS: 106-48-9
- CID: 4684
- InChiKey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N
- InChi: InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
- CanoSmiles: C1=CC(=CC=C1O)Cl
- IsoSmiles: C1=CC(=CC=C1O)Cl
