| CAS Number | 2096334-24-4 |
| Catalog Number | AG01EITV |
| Chemical Name | 2-(Diethylaminomethyl)-4-fluorophenylboronic acid, pinacol ester, HCl |
| IUPAC Name | N-ethyl-N-[[5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C17H27BFNO2.ClH/c1-7-20(8-2)12-13-11-14(19)9-10-15(13)18-21-16(3,4)17(5,6)22-18;/h9-11H,7-8,12H2,1-6H3;1H |
| InChI Key | ARBADHZQZYLKTI-UHFFFAOYSA-N |
| MDL Number | MFCD20529516 |
| Molecular Formula | C17H28BClFNO2 |
| Molecular Weight | 343.6721 |
| SMILES | CCN(Cc1cc(F)ccc1B1OC(C(O1)(C)C)(C)C)CC.Cl |
| Synonyms | 2-(DIETHYLAMINOMETHYL)-4-FLUOROPHENYLBORONIC ACID, PINACOL ESTER, HCL,
2096334-24-4,
N-Ethyl-N-(5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine hydrochloride,
KM4107,
MFCD20529516,
AKOS027372035,
2-(Diethylaminomethyl)-4-fluorophenylboronic acid, pinacol ester hydrochloride,
N/A,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.674g/mol |
| Monoisotopic Mass | 343.189g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.7A^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