| CAS Number | 505082-74-6 |
| Catalog Number | AG00DI03(AGN-PC-04Q6IK) |
| Chemical Name | 6-(2,4-Difluorophenyl)nicotinic acid |
| IUPAC Name | 6-(2,4-difluorophenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H7F2NO2/c13-8-2-3-9(10(14)5-8)11-4-1-7(6-15-11)12(16)17/h1-6H,(H,16,17) |
| InChI Key | PFOATVDDIXDITI-UHFFFAOYSA-N |
| MDL Number | MFCD06410416 |
| Molecular Formula | C12H7F2NO2 |
| Molecular Weight | 235.1863 |
| SMILES | OC(C1=CN=C(C2=C(F)C=C(F)C=C2)C=C1)=O |
| Synonyms | 505082-74-6,
6-(2,4-DIFLUOROPHENYL)NICOTINIC ACID,
6-(2,4-DIFLUOROPHENYL)-NICOTINIC ACID,
SCHEMBL4388622,
CTK4J2720,
DTXSID20647037,
PFOATVDDIXDITI-UHFFFAOYSA-N,
MFCD06410416,
ZINC39927701,
AB24396,
V6263,
3-PYRIDINECARBOXYLIC ACID, 6-(2,4-DIFLUOROPHENYL)-,
6-(2,4-DIFLUOROPHENYL)PYRIDINE-3-CARBOXYLIC ACID,
C12H7F2NO2,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.19g/mol |
| Monoisotopic Mass | 235.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number