| CAS Number | 1261924-27-9 |
| Catalog Number | AG009WTS(AGN-PC-0WABEY) |
| Chemical Name | 5-Fluoro-3-(2-methoxyphenyl)benzoic acid |
| IUPAC Name | 3-fluoro-5-(2-methoxyphenyl)benzoic acid |
| InChI | InChI=1S/C14H11FO3/c1-18-13-5-3-2-4-12(13)9-6-10(14(16)17)8-11(15)7-9/h2-8H,1H3,(H,16,17) |
| InChI Key | ZFJOWXOXIMCDGE-UHFFFAOYSA-N |
| MDL Number | MFCD18319481 |
| Molecular Formula | C14H11FO3 |
| Molecular Weight | 246.2337 |
| SMILES | COc1ccccc1c1cc(F)cc(c1)C(=O)O |
| Synonyms | 5-FLUORO-3-(2-METHOXYPHENYL)BENZOIC ACID,
1261924-27-9,
DTXSID40689131,
MFCD18319481,
ZINC65349947,
AKOS026672616,
5-Fluoro-2'-methoxy[1,1'-biphenyl]-3-carboxylic acid,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.237g/mol |
| Monoisotopic Mass | 246.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number