Basic information
- CAS
6936-58-9- Standard SMILES
O=C(Oc1cc2c(cc1Br)OCO2)c1ccccc1- InChIKey
JEIDGPDHDMIOBQ-UHFFFAOYSA-N- Molecular formula
- C14H9BrO4
- Average molar mass
- 321.12 g/mol
- Monoisotopic mass
- 319.96842
Names & identifiers
- Preferred name
- 6-Bromo-1,3-benzodioxol-5-yl benzoate
- IUPAC
- (6-bromo-1,3-benzodioxol-5-yl) benzoate
Names & synonyms
6936-58-96-bromo-1,3-benzodioxol-5-yl benzoateNSC22580DTXSID70281708NSC-225806-Bromo-2H-1,3-benzodioxol-5-yl benzoate
Database identifiers
- CAS
6936-58-9- PubChem CID
- 229151
- DTXSID
DTXSID70281708
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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