| CAS Number | 1261990-34-4 |
| Catalog Number | AG009WZT(AGN-PC-0WA99F) |
| Chemical Name | 4-(4-Carboxy-3-fluorophenyl)-2-methoxyphenol |
| IUPAC Name | 2-fluoro-4-(4-hydroxy-3-methoxyphenyl)benzoic acid |
| InChI | InChI=1S/C14H11FO4/c1-19-13-7-9(3-5-12(13)16)8-2-4-10(14(17)18)11(15)6-8/h2-7,16H,1H3,(H,17,18) |
| InChI Key | RPBLACUITICGAB-UHFFFAOYSA-N |
| MDL Number | MFCD18315233 |
| Molecular Formula | C14H11FO4 |
| Molecular Weight | 262.2331 |
| SMILES | COc1cc(ccc1O)c1ccc(c(c1)F)C(=O)O |
| Synonyms | 4-(4-CARBOXY-3-FLUOROPHENYL)-2-METHOXYPHENOL,
1261990-34-4,
DTXSID70685661,
MFCD18315233,
ZINC65342719,
Z9282,
3-Fluoro-4'-hydroxy-3'-methoxy[1,1'-biphenyl]-4-carboxylic acid,
C14H11FO4,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.236g/mol |
| Monoisotopic Mass | 262.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number