| CAS Number | 2096341-93-2 |
| Catalog Number | AG01EHHX |
| Chemical Name | 2-(Methoxymethoxy)-5-(trifluoromethylthio)phenylboronic acid, pinacol ester |
| IUPAC Name | 2-[2-(methoxymethoxy)-5-(trifluoromethylsulfanyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C15H20BF3O4S/c1-13(2)14(3,4)23-16(22-13)11-8-10(24-15(17,18)19)6-7-12(11)21-9-20-5/h6-8H,9H2,1-5H3 |
| InChI Key | QDFYYVPYIALXHO-UHFFFAOYSA-N |
| MDL Number | MFCD18914524 |
| Molecular Formula | C15H20BF3O4S |
| Molecular Weight | 364.1881 |
| SMILES | COCOc1ccc(cc1B1OC(C(O1)(C)C)(C)C)SC(F)(F)F |
| Synonyms | 2-(Methoxymethoxy)-5-(trifluoromethylthio)phenylboronic acid, pinacol ester,
2096341-93-2,
2-(2-(Methoxymethoxy)-5-((trifluoromethyl)thio)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD18914524,
ZINC169951897,
A-3052,
B-9684,
N/A,
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| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.186g/mol |
| Monoisotopic Mass | 364.113g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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