Diethyl 3-bromo-4-oxoheptanedioate
Basic information
- CAS
59742-68-6- Standard SMILES
CCOC(=O)CCC(=O)C(Br)CC(=O)OCC- InChIKey
NAISJJKROKNKCI-UHFFFAOYSA-N- Molecular formula
- C11H17BrO5
- Average molar mass
- 309.15 g/mol
- Monoisotopic mass
- 308.02594
Names & identifiers
- Preferred name
- Diethyl 3-bromo-4-oxoheptanedioate
- IUPAC
- diethyl 3-bromo-4-oxoheptanedioate
Names & synonyms
Diethyl 3-bromo-4-oxoheptanedioate59742-68-6SCHEMBL11487878DTXSID80787049
Database identifiers
- CAS
59742-68-6- PubChem CID
- 71363532
- DTXSID
DTXSID80787049
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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