| CAS Number | 1198615-86-9 |
| Catalog Number | AG01FFXH(AGN-PC-3H4AHC) |
| Chemical Name | Benzoic acid, 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester |
| IUPAC Name | ethyl 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C15H20BFO4/c1-6-19-13(18)10-8-7-9-11(12(10)17)16-20-14(2,3)15(4,5)21-16/h7-9H,6H2,1-5H3 |
| InChI Key | OMMPUXRIZFPVNV-UHFFFAOYSA-N |
| MDL Number | MFCD18383987 |
| Molecular Formula | C15H20BFO4 |
| Molecular Weight | 294.1263 |
| SMILES | O=C(OCC)C1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1F |
| Synonyms | 1198615-86-9,
SCHEMBL12215759,
MFCD18383987,
AS-55482,
3-Ethoxycarbonyl-2-fluorobenzeneboronic acid pinacol ester,
ethyl 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
Benzoic acid, 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester,
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| Complexity | 383 |
| 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 | 4 |
| 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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