| CAS Number | 1033743-83-7 |
| Catalog Number | AG008USF(AGN-PC-0WQX33) |
| Chemical Name | 3-(4-Boc-piperazin-1-ylsulfonyl)phenylboronic acid pinacol ester |
| IUPAC Name | tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperazine-1-carboxylate |
| InChI | InChI=1S/C21H33BN2O6S/c1-19(2,3)28-18(25)23-11-13-24(14-12-23)31(26,27)17-10-8-9-16(15-17)22-29-20(4,5)21(6,7)30-22/h8-10,15H,11-14H2,1-7H3 |
| InChI Key | HICZDEKCDZHGNK-UHFFFAOYSA-N |
| MDL Number | MFCD19288883 |
| Molecular Formula | C21H33BN2O6S |
| Molecular Weight | 452.3725 |
| SMILES | O=C(N1CCN(S(=O)(C2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2)=O)CC1)OC(C)(C)C |
| Synonyms | 1033743-83-7,
3-(4-Boc-piperazin-1-ylsulfonyl)phenylboronic acid pinacol ester,
tert-Butyl 4-((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)piperazine-1-carboxylate,
AKOS027430536,
ZINC203453775,
C-0335,
3-(4-Boc-Piperazin-1-ylsulfonyl)phenylboronic acid, pinacol ester,
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| Complexity | 750 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 452.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 452.373g/mol |
| Monoisotopic Mass | 452.215g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 93.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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