| CAS Number | 2096337-88-9 |
| Catalog Number | AG01EHAV(AGN-PC-3H45G5) |
| Chemical Name | 3-(N,N-Dimethylcarbamoyl)-5-methylphenylboronic acid, pinacol ester |
| IUPAC Name | N,N,3-trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
| InChI | InChI=1S/C16H24BNO3/c1-11-8-12(14(19)18(6)7)10-13(9-11)17-20-15(2,3)16(4,5)21-17/h8-10H,1-7H3 |
| InChI Key | ULDQNDKNUNYZAS-UHFFFAOYSA-N |
| MDL Number | MFCD18434458 |
| Molecular Formula | C16H24BNO3 |
| Molecular Weight | 289.1777 |
| SMILES | CN(C(C1=CC(=CC(=C1)B1OC(C(O1)(C)C)(C)C)C)=O)C |
| Synonyms | 3-(N,N-Dimethylcarbamoyl)-5-methylphenylboronic acid, pinacol ester,
2096337-88-9,
N,N,3-trimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide,
MFCD18434458,
ZINC169936586,
A-3577,
N/A,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.182g/mol |
| Monoisotopic Mass | 289.185g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number