(R)-(+)-3-Bromoisobutyric acid methyl ester | SBID = 102 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 26.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.4 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 107.8 | ||
| Sum Formula: | C5H9BrO2 | ||
| M / g/mol: | 181.029 | ||
| Complexity: | 82.0 | ||
| Number of Conformers: | 9.0 |
Identifiers
- Tags: esters
- Name: (R)-(+)-3-Bromoisobutyric acid methyl ester
- Preferred Abbreviation: (R)-(+)-3-Bromoisobutyric acid methyl ester
- IUPAC Name: methyl (2R)-3-bromo-2-methylpropanoate
- CAS: 110556-33-7
- CID: 642242
- InChiKey: FKWNAVCXZSQYTA-BYPYZUCNSA-N
- InChi: InChI=1S/C5H9BrO2/c1-4(3-6)5(7)8-2/h4H,3H2,1-2H3/t4-/m0/s1
- CanoSmiles: CC(CBr)C(=O)OC
- IsoSmiles: C[C@@H](CBr)C(=O)OC
