2-Chlorophenol | SBID = 219 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.1 | ||
| 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: | 94.6 | ||
| Sum Formula: | C6H5ClO | ||
| M / g/mol: | 128.555 | ||
| Complexity: | 74.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, disinfectant
- Name: 2-Chlorophenol
- Preferred Abbreviation: 2-Chlorophenol
- IUPAC Name: 2-chlorophenol
- CAS: 95-57-8
- CID: 7245
- InChiKey: ISPYQTSUDJAMAB-UHFFFAOYSA-N
- InChi: InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
- CanoSmiles: C1=CC=C(C(=C1)O)Cl
- IsoSmiles: C1=CC=C(C(=C1)O)Cl
