| CAS Number | 1261904-70-4 |
| Catalog Number | AG000S5K(AGN-PC-09Q3G4) |
| Chemical Name | 6-(3-Fluoro-4-methylphenyl)picolinic acid |
| IUPAC Name | 6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H10FNO2/c1-8-5-6-9(7-10(8)14)11-3-2-4-12(15-11)13(16)17/h2-7H,1H3,(H,16,17) |
| InChI Key | SSMDRGRPDSFUDA-UHFFFAOYSA-N |
| MDL Number | MFCD18317028 |
| Molecular Formula | C13H10FNO2 |
| Molecular Weight | 231.2224 |
| SMILES | OC(=O)c1cccc(n1)c1ccc(c(c1)F)C |
| Synonyms | 6-(3-Fluoro-4-methylphenyl)picolinic acid,
1261904-70-4,
ACMC-209b44,
CTK8A9697,
DTXSID20687190,
ANW-18674,
MFCD18317028,
ZINC65347413,
AKOS016008383,
AJ-115358,
AX8243067,
TC-107419,
Z9121,
B-6857,
6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylic acid,
2-Pyridinecarboxylic acid, 6-(3-fluoro-4-methylphenyl)-,
C13H10FNO2,
6-(3-Fluoro-4-methylphenyl)picolinicacid,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.226g/mol |
| Monoisotopic Mass | 231.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number