Basic information
- Standard SMILES
COc1ccc(Br)c2c1OCCO2- InChIKey
ZJNULBCPSOSUHJ-UHFFFAOYSA-N- Molecular formula
- C9H9BrO3
- Average molar mass
- 245.07 g/mol
- Monoisotopic mass
- 243.97351
Names & identifiers
- Preferred name
- 5-Bromo-8-methoxy-2,3-dihydrobenzo[B][1,4]dioxine
- IUPAC
- 5-bromo-8-methoxy-2,3-dihydro-1,4-benzodioxine
Names & synonyms
190661-82-65-BROMO-8-METHOXY-2,3-DIHYDROBENZO[B][1,4]DIOXINEMFCD00099396TimTec1_0001595-bromo-8-methoxy-2,3-dihydro-1,4-benzodioxineSCHEMBL6605094SCHEMBL8175292SCHEMBL8175307ZJNULBCPSOSUHJ-UHFFFAOYSA-NHMS1534H055-Bromo-8-methoxy-1,4-benzodioxane5-bromo-8-methoxybenzo-1,4-dioxane
Show more names
AKOS023833297NCGC00175408-01ST002077SY3087655-bromo-8-methoxy-2H,3H-benzo[e]1,4-dioxane5-bromo-2,3-dihydro-8-methoxy-1,4-benzodioxine
Database identifiers
- PubChem CID
- 2825015
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Related reactions
1 records
Compound notes
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