| CAS Number | 2096335-76-9 |
| Catalog Number | AG01EHEP |
| Chemical Name | 2-Fluoro-6-(tetrahydropyran-4-yloxy)pyridine-3-boronic acid |
| IUPAC Name | [2-fluoro-6-(oxan-4-yloxy)pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C10H13BFNO4/c12-10-8(11(14)15)1-2-9(13-10)17-7-3-5-16-6-4-7/h1-2,7,14-15H,3-6H2 |
| InChI Key | VHVFTUSDJCHIGD-UHFFFAOYSA-N |
| MDL Number | MFCD19237175 |
| Molecular Formula | C10H13BFNO4 |
| Molecular Weight | 241.0239 |
| SMILES | OB(c1ccc(nc1F)OC1CCOCC1)O |
| Synonyms | 2-Fluoro-6-(tetrahydropyran-4-yloxy)pyridine-3-boronic acid,
2096335-76-9,
(2-Fluoro-6-((tetrahydro-2H-pyran-4-yl)oxy)pyridin-3-yl)boronic acid,
C10H13BFNO4,
MFCD19237175,
AKOS027369896,
ZINC169951680,
Y2349,
A-2953,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.025g/mol |
| Monoisotopic Mass | 241.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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