Basic information
- CAS
828276-59-1- Standard SMILES
CC(C)OC(=O)CC(O)CBr- InChIKey
WUFHKFWXUZJOTL-UHFFFAOYSA-N- Molecular formula
- C7H13BrO3
- Average molar mass
- 225.08 g/mol
- Monoisotopic mass
- 224.00480638
Names & identifiers
- Preferred name
- Propan-2-yl 4-bromo-3-hydroxybutanoate
- IUPAC
- propan-2-yl 4-bromo-3-hydroxybutanoate
Names & synonyms
Propan-2-yl 4-bromo-3-hydroxybutanoate828276-59-1SCHEMBL5174591DTXSID10626154WUFHKFWXUZJOTL-UHFFFAOYSA-Nisopropyl 4-bromo-3-hydroxybutanoate
Database identifiers
- CAS
828276-59-1- PubChem CID
- 22492795
- DTXSID
DTXSID10626154
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 125
Related reactions
2 records
Compound notes
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