| CAS Number | 1211541-12-6 |
| Catalog Number | AG01B5LB |
| Chemical Name | 3-(Difluoromethoxy)picolinic acid |
| IUPAC Name | 3-(difluoromethoxy)pyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H5F2NO3/c8-7(9)13-4-2-1-3-10-5(4)6(11)12/h1-3,7H,(H,11,12) |
| InChI Key | XJWOCKIDOISONA-UHFFFAOYSA-N |
| MDL Number | MFCD14653045 |
| Molecular Formula | C7H5F2NO3 |
| Molecular Weight | 189.1163 |
| SMILES | OC(C1=C(OC(F)F)C=CC=N1)=O |
| Synonyms | 3-(Difluoromethoxy)picolinic acid,
1211541-12-6,
3-(difluoromethoxy)pyridine-2-carboxylic acid,
SCHEMBL8515175,
ZINC42394032,
AKOS010638069,
KS-8363,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.118g/mol |
| Monoisotopic Mass | 189.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number