| CAS Number | 1261977-99-4 |
| Catalog Number | AG000SAZ(AGN-PC-09Q3R2) |
| Chemical Name | 2-Pyridinecarboxylic acid, 6-(4-fluoro-3-methoxyphenyl)- |
| IUPAC Name | 6-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H10FNO3/c1-18-12-7-8(5-6-9(12)14)10-3-2-4-11(15-10)13(16)17/h2-7H,1H3,(H,16,17) |
| InChI Key | IWZVHUTZMULWDQ-UHFFFAOYSA-N |
| MDL Number | MFCD18317543 |
| Molecular Formula | C13H10FNO3 |
| Molecular Weight | 247.2218 |
| SMILES | O=C(O)C1=NC(C2=CC=C(F)C(OC)=C2)=CC=C1 |
| Synonyms | 6-(4-Fluoro-3-methoxyphenyl)picolinic acid,
1261977-99-4,
ACMC-209b98,
CTK8A9868,
DTXSID70687569,
ANW-18858,
MFCD18317543,
ZINC65347975,
AJ-115369,
AX8240233,
TC-107603,
Z9262,
B-7005,
6-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid,
2-Pyridinecarboxylic acid, 6-(4-fluoro-3-methoxyphenyl)-,
C13H10FNO3,
6-(4-Fluoro-3-methoxyphenyl)picolinicacid,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.225g/mol |
| Monoisotopic Mass | 247.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number