| CAS Number | 72133-34-7 |
| Catalog Number | AG0069TW(AGN-PC-0KOJ43) |
| Chemical Name | 5-(3-Chlorophenoxy)picolinic acid |
| IUPAC Name | 5-(3-chlorophenoxy)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C12H8ClNO3/c13-8-2-1-3-9(6-8)17-10-4-5-11(12(15)16)14-7-10/h1-7H,(H,15,16) |
| InChI Key | RBYCZLPCBDKRPG-UHFFFAOYSA-N |
| MDL Number | MFCD01704396 |
| Molecular Formula | C12H8ClNO3 |
| Molecular Weight | 249.6498 |
| SMILES | OC(C1=NC=C(OC2=CC(Cl)=CC=C2)C=C1)=O |
| Synonyms | 5-(m-Chlorophenoxy)picolinic acid,
72133-34-7,
ND186P7,
5-(3-chlorophenoxy)pyridine-2-carboxylic acid,
Picolinic acid, 5-(m-chlorophenoxy)-,
2-Pyridinecarboxylic acid, 5-(3-chlorophenoxy)-,
5-(3-Chlorophenoxy)picolinic acid,
AC1MHP3G,
SCHEMBL11412089,
CTK5D5577,
DTXSID00222447,
ZINC33866529,
AKOS017547839,
LS-109660,
Z1680797516,
C12-H8-Cl-N-O3,
CID3055226,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.65g/mol |
| Monoisotopic Mass | 249.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number