| CAS Number | 2096336-94-4 |
| Catalog Number | AG01EHM4 |
| Chemical Name | 3,5-Difluoro-4-(2-methoxyethoxy)-2-methylphenylboronic acid |
| IUPAC Name | [3,5-difluoro-4-(2-methoxyethoxy)-2-methylphenyl]boronic acid |
| InChI | InChI=1S/C10H13BF2O4/c1-6-7(11(14)15)5-8(12)10(9(6)13)17-4-3-16-2/h5,14-15H,3-4H2,1-2H3 |
| InChI Key | PAHKAOHONFWRRE-UHFFFAOYSA-N |
| MDL Number | MFCD20441824 |
| Molecular Formula | C10H13BF2O4 |
| Molecular Weight | 246.0156 |
| SMILES | COCCOc1c(F)cc(c(c1F)C)B(O)O |
| Synonyms | 3,5-Difluoro-4-(2-methoxyethoxy)-2-methylphenylboronic acid,
2096336-94-4,
(3,5-Difluoro-4-(2-methoxyethoxy)-2-methylphenyl)boronic acid,
MFCD20441824,
ZINC169955403,
Y2439,
B-9710,
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