| CAS Number | 1214381-04-0 |
| Catalog Number | AG0014YY(AGN-PC-07QXCQ) |
| Chemical Name | 6-chloro-3-(4-fluorophenyl)pyridine-2-carboxylic acid |
| IUPAC Name | 6-chloro-3-(4-fluorophenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C12H7ClFNO2/c13-10-6-5-9(11(15-10)12(16)17)7-1-3-8(14)4-2-7/h1-6H,(H,16,17) |
| InChI Key | WOZZOVSVIAPCES-UHFFFAOYSA-N |
| MDL Number | MFCD14700774 |
| Molecular Formula | C12H7ClFNO2 |
| Molecular Weight | 251.6409 |
| SMILES | O=C(O)C1=NC(Cl)=CC=C1C2=CC=C(F)C=C2 |
| Synonyms | 6-chloro-3-(4-fluorophenyl)picolinic acid,
1214381-04-0,
6-CHLORO-3-(4-FLUOROPHENYL)PICOLINICACID,
KS-000000IP,
MFCD14700774,
ZINC47205957,
AKOS025117598,
TRA0042377,
2-Pyridinecarboxylic acid, 6-chloro-3-(4-fluorophenyl)-,
191090-32-1,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.641g/mol |
| Monoisotopic Mass | 251.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number