Basic information
- CAS
5458-19-5- Standard SMILES
CC(=O)OC(C)(C)C(Br)CBr- InChIKey
CWQWKBPDODZZPK-UHFFFAOYSA-N- Molecular formula
- C7H12Br2O2
- Average molar mass
- 287.98 g/mol
- Monoisotopic mass
- 285.9204
Names & identifiers
- Preferred name
- 3,4-Dibromo-2-methylbutan-2-yl acetate
- IUPAC
- (3,4-dibromo-2-methylbutan-2-yl) acetate
Names & synonyms
5458-19-53,4-dibromo-2-methylbutan-2-yl acetateNSC23531DTXSID80281931NSC-23531
Database identifiers
- CAS
5458-19-5- PubChem CID
- 229692
- DTXSID
DTXSID80281931
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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