| CAS Number | 883528-25-4 |
| Catalog Number | AG0046U7(AGN-PC-07QWSZ) |
| Chemical Name | 2-(4-Fluorophenyl)isonicotinic acid |
| IUPAC Name | 2-(4-fluorophenyl)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C12H8FNO2/c13-10-3-1-8(2-4-10)11-7-9(12(15)16)5-6-14-11/h1-7H,(H,15,16) |
| InChI Key | HUPROSZAFNBWQU-UHFFFAOYSA-N |
| MDL Number | MFCD14666481 |
| Molecular Formula | C12H8FNO2 |
| Molecular Weight | 217.1958 |
| SMILES | FC1C=CC(=CC=1)C1C=C(C(O)=O)C=CN=1 |
| Synonyms | 2-(4-Fluorophenyl)isonicotinic acid,
883528-25-4,
4-Pyridinecarboxylicacid, 2-(4-fluorophenyl)-,
2-(4-Fluorophenyl)pyridine-4-carboxylic acid,
ACMC-209qsl,
SCHEMBL1517490,
CTK3E6712,
KS-00003TKD,
DTXSID20673412,
HUPROSZAFNBWQU-UHFFFAOYSA-N,
ANW-38995,
MFCD14666481,
ZINC41229476,
AKOS022305886,
TS-03101,
TC-127740,
V8610,
F2167-3003,
C12H8FNO2,
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| Complexity | 251 |
| 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 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number