| CAS Number | 2096341-80-7 |
| Catalog Number | AG01EIOK |
| Chemical Name | 2-(N-Ethylaminomethyl)-3-fluorophenylboronic acid, pinacol ester |
| IUPAC Name | N-[[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]ethanamine |
| InChI | InChI=1S/C15H23BFNO2/c1-6-18-10-11-12(8-7-9-13(11)17)16-19-14(2,3)15(4,5)20-16/h7-9,18H,6,10H2,1-5H3 |
| InChI Key | FUJZMCQJGOPXIC-UHFFFAOYSA-N |
| MDL Number | MFCD20529513 |
| Molecular Formula | C15H23BFNO2 |
| Molecular Weight | 279.1580 |
| SMILES | FC1=C(CNCC)C(B2OC(C)(C)C(C)(C)O2)=CC=C1 |
| Synonyms | 2-(N-Ethylaminomethyl)-3-fluorophenylboronic acid, pinacol ester,
2096341-80-7,
N-(2-Fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine,
MFCD20529513,
AKOS027367356,
ZINC169956061,
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 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number