| CAS Number | 2096341-45-4 |
| Catalog Number | AG01EHFE |
| Chemical Name | 2,4-Difluoro-3-(2-methoxyethoxy)-5-methylphenylboronic acid |
| IUPAC Name | [2,4-difluoro-3-(2-methoxyethoxy)-5-methylphenyl]boronic acid |
| InChI | InChI=1S/C10H13BF2O4/c1-6-5-7(11(14)15)9(13)10(8(6)12)17-4-3-16-2/h5,14-15H,3-4H2,1-2H3 |
| InChI Key | OTOAXXZPZLXKSG-UHFFFAOYSA-N |
| MDL Number | MFCD20441788 |
| Molecular Formula | C10H13BF2O4 |
| Molecular Weight | 246.0156 |
| SMILES | COCCOc1c(F)c(C)cc(c1F)B(O)O |
| Synonyms | 2,4-Difluoro-3-(2-methoxyethoxy)-5-methylphenylboronic acid,
2096341-45-4,
(2,4-Difluoro-3-(2-methoxyethoxy)-5-methylphenyl)boronic acid,
MFCD20441788,
AKOS027344147,
ZINC169955163,
Y2217,
B-9708,
C10H13BF2O4,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.017g/mol |
| Monoisotopic Mass | 246.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number