| CAS Number | 2096334-55-1 |
| Catalog Number | AG01EHH6 |
| Chemical Name | 4-(N-Cbz-N-Methylamino)phenylboronic acid, pinacol ester |
| IUPAC Name | benzyl N-methyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
| InChI | InChI=1S/C21H26BNO4/c1-20(2)21(3,4)27-22(26-20)17-11-13-18(14-12-17)23(5)19(24)25-15-16-9-7-6-8-10-16/h6-14H,15H2,1-5H3 |
| InChI Key | NLZRNRXPMFFWBL-UHFFFAOYSA-N |
| MDL Number | MFCD18311903 |
| Molecular Formula | C21H26BNO4 |
| Molecular Weight | 367.2464 |
| SMILES | CN(C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)C(OCC1=CC=CC=C1)=O |
| Synonyms | 2096334-55-1,
4-(N-Cbz-N-Methylamino)phenylboronic acid, pinacol ester,
Benzyl methyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate,
MFCD18311903,
AKOS027350507,
ZINC169936690,
B-9199,
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| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.252g/mol |
| Monoisotopic Mass | 367.195g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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