| CAS Number | 2096332-48-6 |
| Catalog Number | AG01EHLA |
| Chemical Name | 2-Chloro-5-(morpholinomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | 4-[[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine |
| InChI | InChI=1S/C17H25BClNO3/c1-16(2)17(3,4)23-18(22-16)14-11-13(5-6-15(14)19)12-20-7-9-21-10-8-20/h5-6,11H,7-10,12H2,1-4H3 |
| InChI Key | GCHRRPPVKXGTAW-UHFFFAOYSA-N |
| MDL Number | MFCD18783187 |
| Molecular Formula | C17H25BClNO3 |
| Molecular Weight | 337.6493 |
| SMILES | Clc1ccc(cc1B1OC(C(O1)(C)C)(C)C)CN1CCOCC1 |
| Synonyms | 2-Chloro-5-(morpholinomethyl)phenylboronic acid, pinacol ester,
2096332-48-6,
4-(4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine,
MFCD18783187,
AKOS027375571,
ZINC169936753,
A-3216,
N/A,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.651g/mol |
| Monoisotopic Mass | 337.162g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number