6-Bromo-1,3-benzodioxol-5-yl benzoate
(6-bromo-1,3-benzodioxol-5-yl) benzoate
Also Known As: cholic acid|6-bromo-1,3-benzodioxol-5-yl benzoate|(6-bromo-1,3-benzodioxol-5-yl) benzoate|6-Bromo-2H-1,3-benzodioxol-5-yl benzoate|1,3-Benzodioxol-5-ol,6-bromo-, 5-benzoate
CAS: 6936-58-9
| Molecular Formula | C14H9BrO4 |
|---|---|
| Molecular Weight | 319.9684 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.9684 |
| Monoisotopic Mass | 319.9684 |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 6936-58-9 |
|---|---|
| SMILES | C1OC2=CC(=C(C=C2O1)Br)OC(=O)C3=CC=CC=C3 |
| InChIKey | JEIDGPDHDMIOBQ-UHFFFAOYSA-N |
Product Overview
6-Bromo-1,3-benzodioxol-5-yl benzoate (CAS 6936-58-9), with molecular formula C14H9BrO4 and molecular weight 319.9684 g/mol. IUPAC: (6-bromo-1,3-benzodioxol-5-yl) benzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
6-Bromo-1,3-benzodioxol-5-yl benzoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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