5-Bromo-6-(3,3-dimethoxypropyl)-1,3-benzodioxole
Basic information
- CAS
114086-43-0- Standard SMILES
COC(CCc1cc2c(cc1Br)OCO2)OC- InChIKey
MTCGEPQRLQZIBD-UHFFFAOYSA-N- Molecular formula
- C12H15BrO4
- Average molar mass
- 303.15 g/mol
- Monoisotopic mass
- 302.01537
Names & identifiers
- Preferred name
- 5-Bromo-6-(3,3-dimethoxypropyl)-1,3-benzodioxole
- IUPAC
- 5-bromo-6-(3,3-dimethoxypropyl)-1,3-benzodioxole
Names & synonyms
DTXSID801237622114086-43-05-Bromo-6-(3,3-dimethoxypropyl)-1,3-benzodioxole5-Bromo-6-(3,3-dimethoxypropyl)-2H-1,3-benzodioxole
Database identifiers
- CAS
114086-43-0- PubChem CID
- 85549517
- DTXSID
DTXSID801237622
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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