| CAS Number | 56897-54-2 |
| Catalog Number | AG003UMI(AGN-PC-0SML73) |
| Chemical Name | Tetrabromofluorescein dipotassium salt |
| IUPAC Name | dipotassium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate |
| InChI | InChI=1S/C20H8Br4O5.2K/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2 |
| InChI Key | GZAAPEKTGHKWRZ-UHFFFAOYSA-L |
| MDL Number | MFCD00070510 |
| Molecular Formula | C20H6Br4K2O5 |
| Molecular Weight | 724.0712 |
| SMILES | O=C1OC2(C3=C(OC4=C2C=C(Br)C([O-])=C4Br)C(Br)=C([O-])C(Br)=C3)C5=C1C=CC=C5.[K+].[K+] |
| UNII | 16WM87OHGP |
| Synonyms | Acid Red 87 potassium,
UNII-16WM87OHGP,
Tetrabromofluorescein Potassium Salt,
56897-54-2,
16WM87OHGP,
potassium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate,
DTXSID50205422,
MFCD00070510,
AKOS004901440,
MCULE-2117180108,
FT-0707372,
T0036,
C-53303,
|
| Complexity | 797 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 723.618g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 724.076g/mol |
| Monoisotopic Mass | 719.622g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 89.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number