| CAS Number | 2096336-03-5 |
| Catalog Number | AG01EHIP |
| Chemical Name | 4-[(4-Fluorophenyl)(hydroxy)methyl]phenylboronic acid |
| IUPAC Name | [4-[(4-fluorophenyl)-hydroxymethyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H12BFO3/c15-12-7-3-10(4-8-12)13(16)9-1-5-11(6-2-9)14(17)18/h1-8,13,16-18H |
| InChI Key | DABWNQSWILZWGM-UHFFFAOYSA-N |
| MDL Number | MFCD22205751 |
| Molecular Formula | C13H12BFO3 |
| Molecular Weight | 246.0420 |
| SMILES | Fc1ccc(cc1)C(c1ccc(cc1)B(O)O)O |
| Synonyms | 4-[(4-Fluorophenyl)(hydroxy)methyl]phenylboronic acid,
2096336-03-5,
(4-((4-Fluorophenyl)(hydroxy)methyl)phenyl)boronic acid,
MFCD22205751,
AKOS027359086,
Y2689,
B-9597,
C13H12BFO3,
|
| Complexity | 249 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.044g/mol |
| Monoisotopic Mass | 246.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number