| CAS Number | 1261981-84-3 |
| Catalog Number | AG009WZS(AGN-PC-0WA99E) |
| Chemical Name | 4-(4-Carboxy-3-fluorophenyl)-2-fluorophenol |
| IUPAC Name | 2-fluoro-4-(3-fluoro-4-hydroxyphenyl)benzoic acid |
| InChI | InChI=1S/C13H8F2O3/c14-10-5-7(1-3-9(10)13(17)18)8-2-4-12(16)11(15)6-8/h1-6,16H,(H,17,18) |
| InChI Key | WAOJTEBFVYXERU-UHFFFAOYSA-N |
| MDL Number | MFCD18313890 |
| Molecular Formula | C13H8F2O3 |
| Molecular Weight | 250.1976 |
| SMILES | OC(=O)c1ccc(cc1F)c1ccc(c(c1)F)O |
| Synonyms | 4-(4-CARBOXY-3-FLUOROPHENYL)-2-FLUOROPHENOL,
1261981-84-3,
DTXSID30684397,
MFCD18313890,
ZINC65341027,
3,3'-Difluoro-4'-hydroxy[1,1'-biphenyl]-4-carboxylic acid,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.201g/mol |
| Monoisotopic Mass | 250.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number