| CAS Number | 1243540-13-7 |
| Catalog Number | AG009DDS |
| Chemical Name | 2-BENZYL-3-METHOXY-3-OXOPROPYLBORONIC ACID PINACOL ESTER |
| IUPAC Name | methyl 2-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate |
| InChI | InChI=1S/C17H25BO4/c1-16(2)17(3,4)22-18(21-16)12-14(15(19)20-5)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3 |
| InChI Key | HXUREWBKGGLFKY-UHFFFAOYSA-N |
| MDL Number | MFCD20327976 |
| Molecular Formula | C17H25BO4 |
| Molecular Weight | 304.1890 |
| SMILES | COC(=O)C(Cc1ccccc1)CB1OC(C(O1)(C)C)(C)C |
| Synonyms | 1243540-13-7,
2-Benzyl-3-methoxy-3-oxopropylboronic acid Pinacol Ester,
methyl 2-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate,
C-0083,
HXUREWBKGGLFKY-UHFFFAOYSA-N,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.193g/mol |
| Monoisotopic Mass | 304.185g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number