Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=C(C=C1C2=CC(=CC(=C2)C3=CC(=C(C=C3)C(=O)O)F)C4=CC(=C(C=C4)C(=O)O)F)F)C(=O)O |
|---|---|
| IUPAC Name | 4-[3,5-bis(4-carboxy-3-fluorophenyl)phenyl]-2-fluorobenzoic acid |
| InChIKey | ZGAYHURZLJOJPX-UHFFFAOYSA-N |
| INCHI | 1S/C27H15F3O6/c28-22-10-13(1-4-19(22)25(31)32)16-7-17(14-2-5-20(26(33)34)23(29)11-14)9-18(8-16)15-3-6-21(27(35)36)24(30)12-15/h1-12H,(H,31,32)(H,33,34)(H,35,36) |
| Isomeric SMILES | C1=CC(=C(C=C1C2=CC(=CC(=C2)C3=CC(=C(C=C3)C(=O)O)F)C4=CC(=C(C=C4)C(=O)O)F)F)C(=O)O |
| PubChem CID | 118448397 |
| Molecular Weight | 492.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Molecular Weight | 492.400 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 492.082 Da |
| Monoisotopic Mass | 492.082 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 707.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |