1-Bromoadamantane | SBID = 1082 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.6 | ||
| 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: | 134.4 | ||
| Sum Formula: | C10H15Br | ||
| M / g/mol: | 215.13 | ||
| Complexity: | 144.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: 1-Bromoadamantane
- Preferred Abbreviation: 1-Bromoadamantane
- IUPAC Name: 1-bromoadamantane
- CAS: 768-90-1
- CID: 79106
- InChiKey: VQHPRVYDKRESCL-UHFFFAOYSA-N
- InChi: InChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
- CanoSmiles: C1C2CC3CC1CC(C2)(C3)Br
- IsoSmiles: C1C2CC3CC1CC(C2)(C3)Br
