| CAS Number | 2096332-73-7 |
| Catalog Number | AG01EHB0(AGN-PC-3H45GE) |
| Chemical Name | 2,4-Difluoro-5-methoxyphenyl-1,3-diboronic acid, pinacol ester |
| IUPAC Name | 2-[2,4-difluoro-5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C19H28B2F2O5/c1-16(2)17(3,4)26-20(25-16)11-10-12(24-9)15(23)13(14(11)22)21-27-18(5,6)19(7,8)28-21/h10H,1-9H3 |
| InChI Key | NSADMYCXJHVNBT-UHFFFAOYSA-N |
| MDL Number | MFCD18434472 |
| Molecular Formula | C19H28B2F2O5 |
| Molecular Weight | 396.0414 |
| SMILES | COc1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1F)B1OC(C(O1)(C)C)(C)C)F |
| Synonyms | 2096332-73-7,
2,4-Difluoro-5-methoxyphenyl-1,3-diboronic acid, pinacol ester,
2,2'-(2,4-Difluoro-5-methoxy-1,3-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane),
MFCD18434472,
AKOS027347941,
ZINC169936713,
A-3423,
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| Complexity | 569 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 396.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 396.045g/mol |
| Monoisotopic Mass | 396.209g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number