| CAS Number | 32923-72-1 |
| Catalog Number | AG00CLST(AGN-PC-0WA9B7) |
| Chemical Name | 4-(4-Fluorophenyl)nicotinic acid |
| IUPAC Name | 4-(4-fluorophenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H8FNO2/c13-9-3-1-8(2-4-9)10-5-6-14-7-11(10)12(15)16/h1-7H,(H,15,16) |
| InChI Key | MTERFRVVJUCSIL-UHFFFAOYSA-N |
| MDL Number | MFCD18207551 |
| Molecular Formula | C12H8FNO2 |
| Molecular Weight | 217.1958 |
| SMILES | O=C(O)C1=CN=CC=C1C2=CC=C(F)C=C2 |
| Synonyms | 4-(4-FLUOROPHENYL)NICOTINIC ACID,
32923-72-1,
ACMC-209hx7,
CTK8B1472,
DTXSID50557110,
ANW-27497,
MFCD18207551,
ZINC65355607,
AKOS015892209,
AJ-115539,
AX8243100,
TC-116242,
4-(4-fluorophenyl)pyridine-3-carboxylic acid,
I02-3491,
4-(4-Fluorophenyl)nicotinicacid,
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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 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number