| CAS Number | 1261980-57-7 |
| Catalog Number | AG009X15(AGN-PC-0WAAQ8) |
| Chemical Name | 5-(3,5-Dichlorophenyl)picolinic acid |
| IUPAC Name | 5-(3,5-dichlorophenyl)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C12H7Cl2NO2/c13-9-3-8(4-10(14)5-9)7-1-2-11(12(16)17)15-6-7/h1-6H,(H,16,17) |
| InChI Key | GIDXNGGKTSSOGM-UHFFFAOYSA-N |
| MDL Number | MFCD18318111 |
| Molecular Formula | C12H7Cl2NO2 |
| Molecular Weight | 268.0955 |
| SMILES | Clc1cc(Cl)cc(c1)c1ccc(nc1)C(=O)O |
| Synonyms | 5-(3,5-DICHLOROPHENYL)PICOLINIC ACID,
1261980-57-7,
MFCD18318111,
ZINC65348626,
AKOS023478294,
K-3488,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.093g/mol |
| Monoisotopic Mass | 266.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number