2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)
3,5-dibromo-2-[4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid
Also Known As: bis(3,5-dibromosalicyl)fumarate|(E)-2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)|2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)|(Z)-2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)|2-Butenedioic acid (E)-, bis(2,4-dibromo-6-carboxyphenyl) ester|2-Butenedioic acid(2E)-,1,4-bis(2,4-dibromo-6-carboxyphenyl)ester|3,5-dibromo-2-[(E)-4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid|3,5-dibromo-2-[4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid|3,5-dibromo-2-{[(2E)-4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxy}benzoic acid|D0292_ALDRICH, D0292_SIGMA, bis(3,5-dibromosalicyl)fumarate, 3,5-Dibromosalicyl-bis-fumarate, Bis(3,5-dibromosalicyl) fumarate, MolPort-003-940-890, CID5997029, 2-Butenedioic acid (E)-, bis(2,4-dibromo-6-carboxyphenyl) ester, 71337-53-6
| Molecular Formula | C18H8Br4O8 |
|---|---|
| Molecular Weight | 667.69525 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 667.69525 |
| Monoisotopic Mass | 667.69525 |
| Heavy Atoms | 30 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 387828-71-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C(=O)O)OC(=O)C=CC(=O)OC2=C(C=C(C=C2Br)Br)C(=O)O)Br)Br |
| InChIKey | INZBQWPDNWVYFR-UHFFFAOYSA-N |
Product Overview
2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid) (CAS 387828-71-9), with molecular formula C18H8Br4O8 and molecular weight 667.69525 g/mol. IUPAC: 3,5-dibromo-2-[4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid.