(1R-endo)-(+)-3-Bromocamphor | SBID = 1085 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 17.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 3.0 | ||
| 3D Volume/Å3: | 149.3 | ||
| Sum Formula: | C10H15BrO | ||
| M / g/mol: | 231.13 | ||
| Complexity: | 246.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: (1R-endo)-(+)-3-Bromocamphor
- Preferred Abbreviation: 3-Bromo-d-camphor
- IUPAC Name: (1R,3S,4S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
- CAS: 76-29-9
- CID: 512864
- InChiKey: NJQADTYRAYFBJN-FWWHASMVSA-N
- InChi: InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m1/s1
- CanoSmiles: CC1(C2CCC1(C(=O)C2Br)C)C
- IsoSmiles: C[C@@]12CC[C@@H](C1(C)C)[C@@H](C2=O)Br
