5-(2-Bromo-1-methoxypropyl)-2H-1,3-benzodioxole
Basic information
- CAS
5457-88-5- Standard SMILES
COC(c1ccc2c(c1)OCO2)C(C)Br- InChIKey
JQJJDOUHCWKQHF-UHFFFAOYSA-N- Molecular formula
- C11H13BrO3
- Average molar mass
- 273.12 g/mol
- Monoisotopic mass
- 272.00481
Names & identifiers
- Preferred name
- 5-(2-Bromo-1-methoxypropyl)-2H-1,3-benzodioxole
- IUPAC
- 5-(2-bromo-1-methoxypropyl)-1,3-benzodioxole
- English name
- 5-(2-bromo-1-methoxy-propyl)benzo[1,3]dioxole
- Molecular formula
- C11H13BrO3
- Molecular weight
- 273.12
Names & synonyms
5457-88-5NSC239415-(2-Bromo-1-methoxypropyl)-2H-1,3-benzodioxoleDTXSID00282041NSC-239415-(2-bromo-1-methoxy-propyl)benzo[1,3]dioxole1,3-Benzodioxole, 5-(2-bromo-1-methoxypropyl)-
Database identifiers
- CAS
5457-88-5- PubChem CID
- 229882
- DTXSID
DTXSID00282041
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 108 · 108-110 °C(Press: 0.14 Torr)
- Density
- 1.459 · 1.459±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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