| CAS Number | 1311166-12-7 |
| Catalog Number | AG01AJMJ |
| Chemical Name | [5-Fluoro-2-(2-phenylethoxy)phenyl]boronic acid |
| IUPAC Name | [5-fluoro-2-(2-phenylethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C14H14BFO3/c16-12-6-7-14(13(10-12)15(17)18)19-9-8-11-4-2-1-3-5-11/h1-7,10,17-18H,8-9H2 |
| InChI Key | UPUKFGZSYHLUCB-UHFFFAOYSA-N |
| MDL Number | MFCD12634059 |
| Molecular Formula | C14H14BFO3 |
| Molecular Weight | 260.0686 |
| SMILES | FC=1C=CC(=C(C1)B(O)O)OCCC1=CC=CC=C1 |
| Synonyms | [5-fluoro-2-(2-phenylethoxy)phenyl]boronic acid,
1311166-12-7,
SCHEMBL2559838,
AKOS009319457,
ZINC169922553,
NE20375,
EN300-81280,
[5-fluoro-2-(2-phenylethoxy)phenyl]boranediol,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.071g/mol |
| Monoisotopic Mass | 260.102g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number