5-Bromo-6-(2,3-dibromopropyl)-1,3-benzodioxole
Basic information
- CAS
56312-11-9- Standard SMILES
BrCC(Br)Cc1cc2c(cc1Br)OCO2- InChIKey
BPTYOHZNQSPECP-UHFFFAOYSA-N- Molecular formula
- C10H9Br3O2
- Average molar mass
- 400.89 g/mol
- Monoisotopic mass
- 397.81527
Names & identifiers
- Preferred name
- 5-Bromo-6-(2,3-dibromopropyl)-1,3-benzodioxole
- IUPAC
- 5-bromo-6-(2,3-dibromopropyl)-1,3-benzodioxole
Names & synonyms
56312-11-95-bromo-6-(2,3-dibromopropyl)-1,3-benzodioxoleNSC23731SCHEMBL11256697DTXSID70281980NSC-237315-Bromo-6-(2,3-dibromopropyl)-2H-1,3-benzodioxole
Database identifiers
- CAS
56312-11-9- PubChem CID
- 229778
- DTXSID
DTXSID70281980
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
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Compound notes
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