Bromocycloheptane | SBID = 1086 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 0.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.7 | ||
| 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: | 109.6 | ||
| Sum Formula: | C7H13Br | ||
| M / g/mol: | 177.08 | ||
| Complexity: | 53.0 | ||
| Number of Conformers: | 7.0 |
Identifiers
- Tags: typical guest
- Name: Bromocycloheptane
- Preferred Abbreviation: Bromocycloheptane
- IUPAC Name: bromocycloheptane
- CAS: 2404-35-5
- CID: 16992
- InChiKey: LOXORFRCPXUORP-UHFFFAOYSA-N
- InChi: InChI=1S/C7H13Br/c8-7-5-3-1-2-4-6-7/h7H,1-6H2
- CanoSmiles: C1CCCC(CC1)Br
- IsoSmiles: C1CCCC(CC1)Br
