2-Bromoadamantane | SBID = 1083 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.4 | ||
| 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: | 133.0 | ||
| Sum Formula: | C10H15Br | ||
| M / g/mol: | 215.13 | ||
| Complexity: | 148.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 2-Bromoadamantane
- Preferred Abbreviation: 2-Bromoadamantane
- IUPAC Name: 2-bromoadamantane
- CAS: 7314-85-4
- CID: 522482
- InChiKey: RCXJARRRXOPXBC-UHFFFAOYSA-N
- InChi: InChI=1S/C10H15Br/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2
- CanoSmiles: C1C2CC3CC1CC(C2)C3Br
- IsoSmiles: C1C2CC3CC1CC(C2)C3Br
