| CAS Number | 1261931-01-4 |
| Catalog Number | AG00HM99(AGN-PC-0WNPO7) |
| Chemical Name | 2-(4-Carboxyphenyl)-4-fluorobenzoic acid |
| IUPAC Name | 2-(4-carboxyphenyl)-4-fluorobenzoic acid |
| InChI | InChI=1S/C14H9FO4/c15-10-5-6-11(14(18)19)12(7-10)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)(H,18,19) |
| InChI Key | WYOMDALQCHUWGY-UHFFFAOYSA-N |
| MDL Number | MFCD18320276 |
| Molecular Formula | C14H9FO4 |
| Molecular Weight | 260.2173 |
| SMILES | Fc1ccc(c(c1)c1ccc(cc1)C(=O)O)C(=O)O |
| Synonyms | 2-(4-CARBOXYPHENYL)-4-FLUOROBENZOIC ACID,
1261931-01-4,
DTXSID60689916,
MFCD18320276,
ZINC65350654,
AKOS026672624,
5-Fluoro[1,1'-biphenyl]-2,4'-dicarboxylic acid,
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| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.22g/mol |
| Monoisotopic Mass | 260.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number