Basic information
- CAS
128424-48-6- Standard SMILES
CC(C)CCOc1cc(Br)c(OCCC(C)C)cc1Br- InChIKey
NJXRCCALWJCZGY-UHFFFAOYSA-N- Molecular formula
- C16H24Br2O2
- Average molar mass
- 408.2 g/mol
- Monoisotopic mass
- 406.01431
Names & identifiers
- Preferred name
- 1,4-Dibromo-2,5-bis(3-methylbutoxy)benzene
- IUPAC
- 1,4-dibromo-2,5-bis(3-methylbutoxy)benzene
Names & synonyms
128424-48-61,4-dibromo-2,5-bis(3-methylbutoxy)benzeneSCHEMBL2778642DTXSID50571598
Database identifiers
- CAS
128424-48-6- PubChem CID
- 15329830
- DTXSID
DTXSID50571598- Nikkaji
- J893.185B
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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