| CAS Number | 2096341-90-9 |
| Catalog Number | AG01EHAT(AGN-PC-3H45GD) |
| Chemical Name | 3,5-Dimethyl-2-fluorophenylboronic acid, pinacol ester |
| IUPAC Name | 2-(2-fluoro-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C14H20BFO2/c1-9-7-10(2)12(16)11(8-9)15-17-13(3,4)14(5,6)18-15/h7-8H,1-6H3 |
| InChI Key | RMWQMFCRBPVMHF-UHFFFAOYSA-N |
| MDL Number | MFCD18914525 |
| Molecular Formula | C14H20BFO2 |
| Molecular Weight | 250.1168 |
| SMILES | FC1=C(C)C=C(C)C=C1B2OC(C)(C)C(C)(C)O2 |
| Synonyms | 3,5-Dimethyl-2-fluorophenylboronic acid, pinacol ester,
2096341-90-9,
2-(2-fluoro-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
MFCD18914525,
ZINC169951902,
A-3045,
N/A,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.12g/mol |
| Monoisotopic Mass | 250.154g/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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