| CAS Number | 2055742-98-6 |
| Catalog Number | AG01C40X |
| Chemical Name | 2-Hydroxy-3-(trifluoromethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)phenol |
| InChI | InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-7-5-6-8(10(9)18)13(15,16)17/h5-7,18H,1-4H3 |
| InChI Key | BWUQMVGZBPQGOY-UHFFFAOYSA-N |
| MDL Number | MFCD16994256 |
| Molecular Formula | C13H16BF3O3 |
| Molecular Weight | 288.0705 |
| SMILES | CC1(C(C)(C)OB(C2=C(O)C(C(F)(F)F)=CC=C2)O1)C |
| Synonyms | 2055742-98-6,
2-HYDROXY-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, PINACOL ESTER,
2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-6-(TRIFLUOROMETHYL)PHENOL,
MFCD16994256,
ZINC169956145,
FCH2775020,
MB15219,
B-8982,
EN300-257468,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.073g/mol |
| Monoisotopic Mass | 288.114g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number