| CAS Number | 1313760-30-3 |
| Catalog Number | AG01A10Q |
| Chemical Name | [5-Fluoro-2-(pyridin-4-ylmethoxy)phenyl]boranediol |
| IUPAC Name | [5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C12H11BFNO3/c14-10-1-2-12(11(7-10)13(16)17)18-8-9-3-5-15-6-4-9/h1-7,16-17H,8H2 |
| InChI Key | WBYYLCBGOWSLDF-UHFFFAOYSA-N |
| MDL Number | MFCD11540676 |
| Molecular Formula | C12H11BFNO3 |
| Molecular Weight | 247.0300 |
| SMILES | OB(C1=C(OCC2=CC=NC=C2)C=CC(F)=C1)O |
| Synonyms | [5-fluoro-2-(pyridin-4-ylmethoxy)phenyl]boronic acid,
1313760-30-3,
ZINC169922566,
NE34746,
{5-fluoro-2-[(pyridin-4-yl)methoxy]phenyl}boronic acid,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.032g/mol |
| Monoisotopic Mass | 247.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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