| CAS Number | 2096330-13-9 |
| Catalog Number | AG01EHJT |
| Chemical Name | 2-Fluoro-3-methyl-5-(methoxycarbonyl)phenylboronic acid, pinacol ester |
| IUPAC Name | methyl 4-fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C15H20BFO4/c1-9-7-10(13(18)19-6)8-11(12(9)17)16-20-14(2,3)15(4,5)21-16/h7-8H,1-6H3 |
| InChI Key | WERUCWWZSIWHIP-UHFFFAOYSA-N |
| MDL Number | MFCD19237222 |
| Molecular Formula | C15H20BFO4 |
| Molecular Weight | 294.1263 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2F)C)C(=O)OC |
| Synonyms | 2-Fluoro-3-methyl-5-(methoxycarbonyl)phenylboronic acid, pinacol ester,
2096330-13-9,
methyl 4-fluoro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
MFCD19237222,
AKOS027364520,
ZINC169951941,
A-2824,
B-9814,
N/A,
|
| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.129g/mol |
| Monoisotopic Mass | 294.144g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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