| CAS Number | 2096330-37-7 |
| Catalog Number | AG01EHDQ |
| Chemical Name | 2-(Ethylaminomethyl)-5-fluorophenylboronic acid, pinacol ester |
| IUPAC Name | N-[[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]ethanamine |
| InChI | InChI=1S/C15H23BFNO2/c1-6-18-10-11-7-8-12(17)9-13(11)16-19-14(2,3)15(4,5)20-16/h7-9,18H,6,10H2,1-5H3 |
| InChI Key | FHTWGOKAWIFIJZ-UHFFFAOYSA-N |
| MDL Number | MFCD18311900 |
| Molecular Formula | C15H23BFNO2 |
| Molecular Weight | 279.1580 |
| SMILES | CCNCc1ccc(cc1B1OC(C(O1)(C)C)(C)C)F |
| Synonyms | 2-(Ethylaminomethyl)-5-fluorophenylboronic acid, pinacol ester,
2096330-37-7,
N-(4-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine,
MFCD18311900,
AKOS027354629,
ZINC169936625,
N/A,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.162g/mol |
| Monoisotopic Mass | 279.181g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number