| CAS Number | 2096338-65-5 |
| Catalog Number | AG01EHHN |
| Chemical Name | 3,5-Difluoro-4-methoxy-2-methylphenylboronic acid |
| IUPAC Name | (3,5-difluoro-4-methoxy-2-methylphenyl)boronic acid |
| InChI | InChI=1S/C8H9BF2O3/c1-4-5(9(12)13)3-6(10)8(14-2)7(4)11/h3,12-13H,1-2H3 |
| InChI Key | INITXGASRQPIOH-UHFFFAOYSA-N |
| MDL Number | MFCD20441795 |
| Molecular Formula | C8H9BF2O3 |
| Molecular Weight | 201.9631 |
| SMILES | COc1c(F)cc(c(c1F)C)B(O)O |
| Synonyms | 3,5-Difluoro-4-methoxy-2-methylphenylboronic acid,
2096338-65-5,
(3,5-difluoro-4-methoxy-2-methylphenyl)boronic acid,
MFCD20441795,
ZINC169955263,
Y2443,
B-9434,
C8H9BF2O3,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.964g/mol |
| Monoisotopic Mass | 202.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number