diethyl (2R,3R)-2-bromo-3-fluorobutanedioate
Basic information
- CAS
36875-36-2- Standard SMILES
CCOC(=O)[C@@H](F)[C@H](Br)C(=O)OCC- InChIKey
GGXJBZZXMDFAST-WDSKDSINSA-N- Molecular formula
- C8H12BrFO4
- Average molar mass
- 271.08 g/mol
- Monoisotopic mass
- 269.9903
Names & identifiers
- Preferred name
- diethyl (2R,3R)-2-bromo-3-fluorobutanedioate
- IUPAC
- diethyl (2R,3R)-2-bromo-3-fluorobutanedioate
Names & synonyms
36875-36-2diethyl (2R,3R)-2-bromo-3-fluorobutanedioateNSC297896DTXSID10315859NSC-297896Butanedioic acid, diethyl ester, (R*,R*)-
Database identifiers
- CAS
36875-36-2- PubChem CID
- 326460
- DTXSID
DTXSID10315859
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…