3-Bromo-1-propanol | SBID = 198 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.7 | ||
| 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: | 75.3 | ||
| Sum Formula: | C3H7BrO | ||
| M / g/mol: | 138.992 | ||
| Complexity: | 16.0 | ||
| Number of Conformers: | 9.0 |
Identifiers
- Tags: aliphatic
- Name: 3-Bromo-1-propanol
- Preferred Abbreviation: 3-Bromo-1-propanol
- IUPAC Name: 3-bromopropan-1-ol
- CAS: 627-18-9
- CID: 12308
- InChiKey: RQFUZUMFPRMVDX-UHFFFAOYSA-N
- InChi: InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2
- CanoSmiles: C(CO)CBr
- IsoSmiles: C(CO)CBr
