| CAS Number | 1072855-41-4 |
| Catalog Number | AG01A38W |
| Chemical Name | 6-(2,2-difluoroethoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 6-(2,2-difluoroethoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H7F2NO3/c9-6(10)4-14-7-2-1-5(3-11-7)8(12)13/h1-3,6H,4H2,(H,12,13) |
| InChI Key | CJWFZYNDCTZHEP-UHFFFAOYSA-N |
| MDL Number | MFCD23701786 |
| Molecular Formula | C8H7F2NO3 |
| Molecular Weight | 203.1429 |
| SMILES | OC(C1=CN=C(OCC(F)F)C=C1)=O |
| Synonyms | 6-(2,2-difluoroethoxy)pyridine-3-carboxylic acid,
6-(2,2-difluoroethoxy)nicotinic acid,
1072855-41-4,
SCHEMBL796420,
CJWFZYNDCTZHEP-UHFFFAOYSA-N,
ZINC89794209,
AKOS026715678,
MCULE-4784546921,
NE28595,
A1-10964,
F2147-2134,
Z1536943085,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.145g/mol |
| Monoisotopic Mass | 203.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number