| CAS Number | 1261656-56-7 |
| Catalog Number | AG000RXQ(AGN-PC-0WA9CN) |
| Chemical Name | 4-(4-Trifluoromethoxyphenyl)picolinic acid |
| IUPAC Name | 4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid |
| InChI | InChI=1S/C13H8F3NO3/c14-13(15,16)20-10-3-1-8(2-4-10)9-5-6-17-11(7-9)12(18)19/h1-7H,(H,18,19) |
| InChI Key | ZHWHBJVHBOLMHK-UHFFFAOYSA-N |
| MDL Number | MFCD18318372 |
| Molecular Formula | C13H8F3NO3 |
| Molecular Weight | 283.2027 |
| SMILES | OC(=O)c1nccc(c1)c1ccc(cc1)OC(F)(F)F |
| Synonyms | 1261656-56-7,
4-(4-Trifluoromethoxyphenyl)picolinic acid,
4-(4-(Trifluoromethoxy)phenyl)picolinic acid,
ACMC-209b25,
CTK8A9633,
DTXSID80688244,
ANW-18603,
MFCD18318372,
ZINC65348904,
PC53059,
TC-107348,
Z9063,
B-6800,
4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid,
4-[4-(Trifluoromethoxy)phenyl]pyridine-2-carboxylic acid 95%,
C13H8F3NO3,
4-(4-Trifluoromethoxyphenyl)picolinicacid,
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| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.206g/mol |
| Monoisotopic Mass | 283.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number