Fumaryl monodibromoaspirin
(E)-4-[(3,5-dibromo-2-hydroxyphenyl)methoxy]-4-oxobut-2-enoic acid
Also Known As: Fumaryl monodibromoaspirin|3,5-Dbsf|Fmda-3,5|Mono(3,5-dibromosalicyl)fumarate|starbld0031810|mono(3,5-dibromosalicyl) fumarate|(E)-4-[(3,5-dibromo-2-hydroxyphenyl)methoxy]-4-oxobut-2-enoic acid|(E)-4-((3,5-Dibromo-2-hydroxybenzyl)oxy)-4-oxobut-2-enoic acid|4-(3-tert-butoxycarbonyl-1-piperazinyl)-phenylboronic acid|2-Butenedioic acid (E)-, mono((3,5-dibromo-2-hydroxyphenyl)methyl) ester
| Molecular Formula | C11H8Br2O5 |
|---|---|
| Molecular Weight | 377.87384 g/mol |
| LogP | 2.6012 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.87384 |
| Monoisotopic Mass | 379.8718 |
| Heavy Atoms | 18 |
| Complexity | 510.40018 |
Chemical Identifiers
| CAS Number | 93705-06-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1COC(=O)/C=C/C(=O)O)O)Br)Br |
Product Overview
Fumaryl monodibromoaspirin (CAS 93705-06-7), with molecular formula C11H8Br2O5 and molecular weight 377.87384 g/mol. IUPAC: (E)-4-[(3,5-dibromo-2-hydroxyphenyl)methoxy]-4-oxobut-2-enoic acid.
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