| CAS Number | 1820618-85-6 |
| Catalog Number | AG00I0KA |
| Chemical Name | 4-[3-(Benzyloxy)-5-fluorophenyl]-2-methoxybenzoic acid |
| IUPAC Name | 4-(3-fluoro-5-phenylmethoxyphenyl)-2-methoxybenzoic acid |
| InChI | InChI=1S/C21H17FO4/c1-25-20-11-15(7-8-19(20)21(23)24)16-9-17(22)12-18(10-16)26-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,23,24) |
| InChI Key | SVIRWUWFMLAYPA-UHFFFAOYSA-N |
| MDL Number | MFCD28166418 |
| Molecular Formula | C21H17FO4 |
| Molecular Weight | 352.3557 |
| SMILES | COc1cc(ccc1C(=O)O)c1cc(OCc2ccccc2)cc(c1)F |
| Synonyms | 1820618-85-6,
4-[3-(Benzyloxy)-5-fluorophenyl]-2-methoxybenzoic acid,
3'-(Benzyloxy)-5'-fluoro-3-methoxy-[1,1'-biphenyl]-4-carboxylic acid,
AKOS027351092,
ZINC216709748,
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| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.361g/mol |
| Monoisotopic Mass | 352.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
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