| CAS Number | 2096340-25-7 |
| Catalog Number | AG01EHJA |
| Chemical Name | 4-[(3-Fluorophenyl)(hydroxy)methyl]phenylboronic acid |
| IUPAC Name | [4-[(3-fluorophenyl)-hydroxymethyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H12BFO3/c15-12-3-1-2-10(8-12)13(16)9-4-6-11(7-5-9)14(17)18/h1-8,13,16-18H |
| InChI Key | KQKCINWLQAXWDS-UHFFFAOYSA-N |
| MDL Number | MFCD22205755 |
| Molecular Formula | C13H12BFO3 |
| Molecular Weight | 246.0420 |
| SMILES | Fc1cccc(c1)C(c1ccc(cc1)B(O)O)O |
| Synonyms | 4-[(3-Fluorophenyl)(hydroxy)methyl]phenylboronic acid,
2096340-25-7,
(4-((3-Fluorophenyl)(hydroxy)methyl)phenyl)boronic acid,
MFCD22205755,
AKOS027350254,
Y2688,
B-9611,
C13H12BFO3,
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| Complexity | 257 |
| 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