4-Bromophenol | SBID = 276 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.6 | ||
| 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: | 101.5 | ||
| Sum Formula: | C6H5BrO | ||
| M / g/mol: | 173.009 | ||
| Complexity: | 66.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: 4-Bromophenol
- Preferred Abbreviation: 4-Bromophenol
- IUPAC Name: 4-bromophenol
- CAS: 106-41-2
- CID: 7808
- InChiKey: GZFGOTFRPZRKDS-UHFFFAOYSA-N
- InChi: InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
- CanoSmiles: C1=CC(=CC=C1O)Br
- IsoSmiles: C1=CC(=CC=C1O)Br
