| CAS Number | 1214359-83-7 |
| Catalog Number | AG01C1VS |
| Chemical Name | 3-Fluoro-4-(pyridin-4-yl)benzoic acid |
| IUPAC Name | 3-fluoro-4-pyridin-4-ylbenzoic acid |
| InChI | InChI=1S/C12H8FNO2/c13-11-7-9(12(15)16)1-2-10(11)8-3-5-14-6-4-8/h1-7H,(H,15,16) |
| InChI Key | VAHXOHHQHVUNQS-UHFFFAOYSA-N |
| MDL Number | MFCD15475472 |
| Molecular Formula | C12H8FNO2 |
| Molecular Weight | 217.1958 |
| SMILES | OC(C1=CC(F)=C(C2=CC=NC=C2)C=C1)=O |
| Synonyms | 3-fluoro-4-(pyridin-4-yl)benzoic acid,
1214359-83-7,
ZINC43589615,
AKOS010971891,
Z2238934590,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.199g/mol |
| Monoisotopic Mass | 217.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number