| CAS Number | 1689509-92-9 |
| Catalog Number | AG00HZ9F |
| Chemical Name | 2-Methyl-4-(trifluoromethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[2-methyl-4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane |
| InChI | InChI=1S/C14H18BF3O2/c1-9-8-10(14(16,17)18)6-7-11(9)15-19-12(2,3)13(4,5)20-15/h6-8H,1-5H3 |
| InChI Key | OAKIXAMUBBQIPD-UHFFFAOYSA-N |
| MDL Number | MFCD18729901 |
| Molecular Formula | C14H18BF3O2 |
| Molecular Weight | 286.0977 |
| SMILES | Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F |
| Synonyms | 1689509-92-9,
2-Methyl-4-(trifluoromethyl)phenylboronic acid pinacol ester,
2-Methyl-4-(trifluoromethyl)phenylboronic acid, pinacol ester,
4,4,5,5-Tetramethyl-2-(2-methyl-4-(trifluoromethyl)phenyl)-1,3,2-dioxaborolane,
SCHEMBL837370,
AKOS027251116,
ZINC170008638,
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| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.101g/mol |
| Monoisotopic Mass | 286.135g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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