| CAS Number | 1351500-37-2 |
| Catalog Number | AG00HTWS(AGN-PC-0WRA43) |
| Chemical Name | 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzeneacetic acid, ethyl ester |
| IUPAC Name | ethyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate |
| InChI | InChI=1S/C16H22BFO4/c1-6-20-14(19)9-11-7-8-12(10-13(11)18)17-21-15(2,3)16(4,5)22-17/h7-8,10H,6,9H2,1-5H3 |
| InChI Key | IDLKSCIRMPIZOL-UHFFFAOYSA-N |
| MDL Number | MFCD22381130 |
| Molecular Formula | C16H22BFO4 |
| Molecular Weight | 308.1529 |
| SMILES | FC1=C(C=CC(=C1)B1OC(C(O1)(C)C)(C)C)CC(=O)OCC |
| Synonyms | 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzeneacetic acid, ethyl ester,
1351500-37-2,
SCHEMBL12068442,
ZINC170006462,
ethyl 2-(2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate,
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| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.16g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.156g/mol |
| Monoisotopic Mass | 308.16g/mol |
| Rotatable Bond Count | 5 |
| 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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