5-Bromo-6-[2-bromo-1-(2-methoxyethoxy)propyl]-1,3-benzodioxole
Basic information
- CAS
6976-66-5- Standard SMILES
COCCOC(c1cc2c(cc1Br)OCO2)C(C)Br- InChIKey
ZYDCBKYLXHYGPK-UHFFFAOYSA-N- Molecular formula
- C13H16Br2O4
- Average molar mass
- 396.07 g/mol
- Monoisotopic mass
- 393.94153
Names & identifiers
- Preferred name
- 5-Bromo-6-[2-bromo-1-(2-methoxyethoxy)propyl]-1,3-benzodioxole
- IUPAC
- 5-bromo-6-[2-bromo-1-(2-methoxyethoxy)propyl]-1,3-benzodioxole
Names & synonyms
6976-66-55-bromo-6-[2-bromo-1-(2-methoxyethoxy)propyl]-1,3-benzodioxoleNSC24745DTXSID90282156NSC-247455-Bromo-6-[2-bromo-1-(2-methoxyethoxy)propyl]-2H-1,3-benzodioxole
Database identifiers
- CAS
6976-66-5- PubChem CID
- 230163
- DTXSID
DTXSID90282156
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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