(R)-3-Bromo-8-camphorsulfonic acid | SBID = 98 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 79.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.2 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 4.0 | ||
| 3D Volume/Å3: | 189.8 | ||
| Sum Formula: | C10H15BrO4S | ||
| M / g/mol: | 311.19 | ||
| Complexity: | 440.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: (R)-3-Bromo-8-camphorsulfonic acid
- Preferred Abbreviation: (R)-3-Bromo-8-camphorsulfonic acid
- IUPAC Name: [(1R,3S,4S,7R)-3-bromo-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]methanesulfonic acid
- CAS: 5344-58-1
- CID: 7057891
- InChiKey: MFEDKMBNKNOUPA-GOZTYBTRSA-N
- InChi: InChI=1S/C10H15BrO4S/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15/h6-7H,3-5H2,1-2H3,(H,13,14,15)/t6-,7+,9+,10-/m1/s1
- CanoSmiles: CC12CCC(C1(C)CS(=O)(=O)O)C(C2=O)Br
- IsoSmiles: C[C@@]12CC[C@@H]([C@@]1(C)CS(=O)(=O)O)[C@@H](C2=O)Br
