| CAS Number | 2096334-70-0 |
| Catalog Number | AG01EHG0 |
| Chemical Name | 2-Chloro-5-(piperidinomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | 1-[[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidine |
| InChI | InChI=1S/C18H27BClNO2/c1-17(2)18(3,4)23-19(22-17)15-12-14(8-9-16(15)20)13-21-10-6-5-7-11-21/h8-9,12H,5-7,10-11,13H2,1-4H3 |
| InChI Key | RKGYUSAGRSCEAF-UHFFFAOYSA-N |
| MDL Number | MFCD18783190 |
| Molecular Formula | C18H27BClNO2 |
| Molecular Weight | 335.6765 |
| SMILES | ClC1=CC=C(CN2CCCCC2)C=C1B3OC(C)(C)C(C)(C)O3 |
| Synonyms | 2-Chloro-5-(piperidinomethyl)phenylboronic acid, pinacol ester,
2096334-70-0,
1-(4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)piperidine,
MFCD18783190,
ZINC169936768,
A-3217,
N/A,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.182g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.679g/mol |
| Monoisotopic Mass | 335.182g/mol |
| Rotatable Bond Count | 3 |
| 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