| CAS Number | 2246544-61-4 |
| Catalog Number | AG01FKZH(AGN-PC-3H4B0N) |
| Chemical Name | (4-((2,6-Difluorobenzyl)oxy)phenyl)boronic acid |
| IUPAC Name | [4-[(2,6-difluorophenyl)methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C13H11BF2O3/c15-12-2-1-3-13(16)11(12)8-19-10-6-4-9(5-7-10)14(17)18/h1-7,17-18H,8H2 |
| InChI Key | MVUGISHBPKVKES-UHFFFAOYSA-N |
| MDL Number | MFCD31916469 |
| Molecular Formula | C13H11BF2O3 |
| Molecular Weight | 264.0324 |
| SMILES | OB(O)C1=CC=C(OCC2=C(F)C=CC=C2F)C=C1 |
| Synonyms | 2246544-61-4,
AS-55517,
(4-((2,6-Difluorobenzyl)oxy)phenyl)boronic acid,
{4-[(2,6-difluorophenyl)methoxy]phenyl}boronic acid,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.035g/mol |
| Monoisotopic Mass | 264.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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