| CAS Number | 1293284-57-7 |
| Catalog Number | AG01DHBF(AGN-PC-0WOLW9) |
| Chemical Name | 5-Fluoro-2-(Pyrimidin-2-Yl)Benzoic Acid |
| IUPAC Name | 5-fluoro-2-pyrimidin-2-ylbenzoic acid |
| InChI | InChI=1S/C11H7FN2O2/c12-7-2-3-8(9(6-7)11(15)16)10-13-4-1-5-14-10/h1-6H,(H,15,16) |
| InChI Key | GWFSRJKDYXADOG-UHFFFAOYSA-N |
| MDL Number | MFCD24481550 |
| Molecular Formula | C11H7FN2O2 |
| Molecular Weight | 218.1839 |
| SMILES | O=C(O)C1=CC(F)=CC=C1C2=NC=CC=N2 |
| Synonyms | 5-Fluoro-2-(pyrimidin-2-yl)benzoic acid,
1293284-57-7,
SCHEMBL1586918,
GWFSRJKDYXADOG-UHFFFAOYSA-N,
ZINC116597459,
5-Fluoro-2-pyrimidin-2-yl-benzoic acid,
Benzoic acid, 5-fluoro-2-(2-pyrimidinyl)-,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.187g/mol |
| Monoisotopic Mass | 218.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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