| CAS Number | 1261890-38-3 |
| Catalog Number | AG00HJD4(AGN-PC-0WNPNO) |
| Chemical Name | 4-(3-Fluoro-5-hydroxyphenyl)-2-methoxybenzoic acid |
| IUPAC Name | 4-(3-fluoro-5-hydroxyphenyl)-2-methoxybenzoic acid |
| InChI | InChI=1S/C14H11FO4/c1-19-13-6-8(2-3-12(13)14(17)18)9-4-10(15)7-11(16)5-9/h2-7,16H,1H3,(H,17,18) |
| InChI Key | ZLBPDTKPEWKXJZ-UHFFFAOYSA-N |
| MDL Number | MFCD18319744 |
| Molecular Formula | C14H11FO4 |
| Molecular Weight | 262.2331 |
| SMILES | COc1cc(ccc1C(=O)O)c1cc(O)cc(c1)F |
| Synonyms | 4-(3-FLUORO-5-HYDROXYPHENYL)-2-METHOXYBENZOIC ACID,
1261890-38-3,
DTXSID00689394,
MFCD18319744,
ZINC65350182,
AKOS026672595,
3'-Fluoro-5'-hydroxy-3-methoxy[1,1'-biphenyl]-4-carboxylic acid,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number