| CAS Number | 2096329-91-6 |
| Catalog Number | AG01EHMW |
| Chemical Name | 4-Chloro-2-(morpholinomethyl)phenylboronic acid, pinacol ester |
| IUPAC Name | 4-[[5-chloro-2-(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)15-6-5-14(19)11-13(15)12-20-7-9-21-10-8-20/h5-6,11H,7-10,12H2,1-4H3 |
| InChI Key | YXRJYRZYBHPDLB-UHFFFAOYSA-N |
| MDL Number | MFCD20491447 |
| Molecular Formula | C17H25BClNO3 |
| Molecular Weight | 337.6493 |
| SMILES | CC1(C)OB(OC1(C)C)c1ccc(cc1CN1CCOCC1)Cl |
| Synonyms | 4-Chloro-2-(morpholinomethyl)phenylboronic acid, pinacol ester,
2096329-91-6,
4-(5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine,
MFCD20491447,
ZINC169956016,
B-9745,
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
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