3-Chlorophenol | SBID = 221 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.5 | ||
| 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: | 95.1 | ||
| Sum Formula: | C6H5ClO | ||
| M / g/mol: | 128.555 | ||
| Complexity: | 74.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic
- Name: 3-Chlorophenol
- Preferred Abbreviation: 3-Chlorophenol
- IUPAC Name: 3-chlorophenol
- CAS: 108-43-0
- CID: 7933
- InChiKey: HORNXRXVQWOLPJ-UHFFFAOYSA-N
- InChi: InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
- CanoSmiles: C1=CC(=CC(=C1)Cl)O
- IsoSmiles: C1=CC(=CC(=C1)Cl)O
