Bromocyclobutane | SBID = 1215 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 75.1 | ||
| Sum Formula: | C4H7Br | ||
| M / g/mol: | 135.0 | ||
| Complexity: | 30.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: typical guest
- Name: Bromocyclobutane
- Preferred Abbreviation: Bromocyclobutane
- IUPAC Name: bromocyclobutane
- CAS: 4399-47-7
- CID: 78110
- InChiKey: KXVUSQIDCZRUKF-UHFFFAOYSA-N
- InChi: InChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2
- CanoSmiles: C1CC(C1)Br
- IsoSmiles: C1CC(C1)Br
