Basic information
- Standard SMILES
O=C(CBr)[C@@H]1CCCO1- InChIKey
NOYOYKREDRZQSD-LURJTMIESA-N- Molecular formula
- C6H9BrO2
- Average molar mass
- 193.04 g/mol
Names & identifiers
- Preferred name
- (S)-2-bromo-1-(tetrahydrofuran-2-yl)ethanone
- IUPAC
- 2-bromo-1-[(2S)-oxolan-2-yl]ethanone
Names & synonyms
141194-61-8(S)-2-bromo-1-(tetrahydrofuran-2-yl)ethanoneSCHEMBL8004432NOYOYKREDRZQSD-LURJTMIESA-NDB-287355ETHANONE, 2-BROMO-1-[(2S)-TETRAHYDRO-2-FURANYL]-
Database identifiers
- PubChem CID
- 45080892
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Related reactions
2 records
Compound notes
Loading…