| CAS Number | 2096332-20-4 |
| Catalog Number | AG01EHNK |
| Chemical Name | 3-Chloro-2-(N,N-diethylaminomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | N-[[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-N-ethylethanamine |
| InChI | InChI=1S/C17H27BClNO2/c1-7-20(8-2)12-13-14(10-9-11-15(13)19)18-21-16(3,4)17(5,6)22-18/h9-11H,7-8,12H2,1-6H3 |
| InChI Key | IMTUNIYOSPVFSO-UHFFFAOYSA-N |
| MDL Number | MFCD20441921 |
| Molecular Formula | C17H27BClNO2 |
| Molecular Weight | 323.6658 |
| SMILES | CCN(Cc1c(Cl)cccc1B1OC(C(O1)(C)C)(C)C)CC |
| Synonyms | 2096332-20-4,
3-Chloro-2-(N,N-diethylaminomethyl)phenylboronic acid, pinacol ester,
N-(2-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-N-ethylethanamine,
MFCD20441921,
ZINC169956028,
B-9725,
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| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.182g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.668g/mol |
| Monoisotopic Mass | 323.182g/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
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Certificate of Analysis
Lot Number