Basic information
- CAS
5458-20-8- Standard SMILES
CCC(=O)OC(C)(C)C(Br)CBr- InChIKey
WGFJNLSEESZSBU-UHFFFAOYSA-N- Molecular formula
- C8H14Br2O2
- Average molar mass
- 302 g/mol
- Monoisotopic mass
- 299.93605
Names & identifiers
- Preferred name
- (3,4-Dibromo-2-methylbutan-2-yl) propanoate
- IUPAC
- (3,4-dibromo-2-methylbutan-2-yl) propanoate
Names & synonyms
5458-20-8(3,4-dibromo-2-methylbutan-2-yl) propanoate3,4-dibromo-2-methylbutan-2-yl propanoateNSC23532DTXSID40281932NSC-23532
Database identifiers
- CAS
5458-20-8- PubChem CID
- 229693
- DTXSID
DTXSID40281932
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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