| CAS Number | 2121512-14-7 |
| Catalog Number | AG01EHN2 |
| Chemical Name | 2-Benzyloxy-4,5-difluorophenylboronic acid |
| IUPAC Name | (4,5-difluoro-2-phenylmethoxyphenyl)boronic acid |
| InChI | InChI=1S/C13H11BF2O3/c15-11-6-10(14(17)18)13(7-12(11)16)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2 |
| InChI Key | HRHVFXMMMRJAAW-UHFFFAOYSA-N |
| MDL Number | MFCD26960243 |
| Molecular Formula | C13H11BF2O3 |
| Molecular Weight | 264.0324 |
| SMILES | c1(c(cc(c(c1)B(O)O)OCc1ccccc1)F)F |
| Synonyms | 2-Benzyloxy-4,5-difluorophenylboronic acid,
2121512-14-7,
MFCD26960243,
|
| Complexity | 275 |
| 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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