| CAS Number | 862088-71-9 |
| Catalog Number | AG01B6IO |
| Chemical Name | 6-(4-Fluorophenoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 6-(4-fluorophenoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H8FNO3/c13-9-2-4-10(5-3-9)17-11-6-1-8(7-14-11)12(15)16/h1-7H,(H,15,16) |
| InChI Key | JJUJTNYRICRFHE-UHFFFAOYSA-N |
| MDL Number | MFCD09737355 |
| Molecular Formula | C12H8FNO3 |
| Molecular Weight | 233.1952 |
| SMILES | O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)O |
| Synonyms | 862088-71-9,
6-(4-fluorophenoxy)pyridine-3-carboxylic acid,
3-Pyridinecarboxylic acid, 6-(4-fluorophenoxy)-,
SCHEMBL2767862,
CTK7C1002,
JJUJTNYRICRFHE-UHFFFAOYSA-N,
ZINC22218140,
AKOS000142743,
6-(4-FLUOROPHENOXY)NICOTINIC ACID,
6-[(4-Fluorophenyl)oxy]-3-pyridinecarboxylic acid,
Z1680796957,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.198g/mol |
| Monoisotopic Mass | 233.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number