4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)-
[(1S,2S,4S)-1-benzoyloxy-4-bromo-1,2,3,4-tetrahydroanthracen-2-yl] benzoate
Also Known As: 4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)-|4-Bromo-1,2,3,4-tetrahydroanthracene-1,2-diyl dibenzoate|1,2-Anthracenediol, 4-bromo-1,2,3,4-tetrahydro-, dibenzoate, (1alpha,2beta,4alpha)-|(1S,2S,4S)-4-bromo-1,2,3,4-tetrahydroanthracene-1,2-diyl dibenzoate|[(1S,2S,4S)-1-benzoyloxy-4-bromo-1,2,3,4-tetrahydroanthracen-2-yl] benzoate
CAS: 60967-92-2
| Molecular Formula | C28H21BrO4 |
|---|---|
| Molecular Weight | 500.06232 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.06232 |
| Monoisotopic Mass | 500.06232 |
| Heavy Atoms | 33 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 60967-92-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](C2=CC3=CC=CC=C3C=C2[C@H]1Br)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | RTFYGNICURMWRN-GSDHBNRESA-N |
Product Overview
4-Bromo-1,2,3,4-tetrahydro-1,2-anthracenediol dibenzoate, (1alpha,2beta,4alpha)- (CAS 60967-92-2), with molecular formula C28H21BrO4 and molecular weight 500.06232 g/mol. IUPAC: [(1S,2S,4S)-1-benzoyloxy-4-bromo-1,2,3,4-tetrahydroanthracen-2-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 →
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