| CAS Number | 1334325-11-9 |
| Catalog Number | AG019SF9 |
| Chemical Name | {2-[(4-fluorophenoxy)methyl]phenyl}boronic acid |
| IUPAC Name | [2-[(4-fluorophenoxy)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H12BFO3/c15-11-5-7-12(8-6-11)18-9-10-3-1-2-4-13(10)14(16)17/h1-8,16-17H,9H2 |
| InChI Key | ZQZAIIMLGZJOQD-UHFFFAOYSA-N |
| MDL Number | MFCD16198509 |
| Molecular Formula | C13H12BFO3 |
| Molecular Weight | 246.0420 |
| SMILES | OB(C1=C(COC2=CC=C(F)C=C2)C=CC=C1)O |
| Synonyms | [2-(4-fluorophenoxymethyl)phenyl]boronic acid,
1334325-11-9,
AKOS005974599,
ZINC169926329,
NE29428,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.044g/mol |
| Monoisotopic Mass | 246.086g/mol |
| Rotatable Bond Count | 4 |
| 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