| CAS Number | 1033743-79-1 |
| Catalog Number | AG008URM(AGN-PC-0WR0O3) |
| Chemical Name | 3-(4-Methylpiperazin-1-ylsulfonyl)phenylboronic acid pinacol ester |
| IUPAC Name | 1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperazine |
| InChI | InChI=1S/C17H27BN2O4S/c1-16(2)17(3,4)24-18(23-16)14-7-6-8-15(13-14)25(21,22)20-11-9-19(5)10-12-20/h6-8,13H,9-12H2,1-5H3 |
| InChI Key | IGCKYMGZVGIVIF-UHFFFAOYSA-N |
| MDL Number | MFCD19288884 |
| Molecular Formula | C17H27BN2O4S |
| Molecular Weight | 366.2833 |
| SMILES | CN1CCN(CC1)S(=O)(=O)C1=CC(=CC=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1033743-79-1,
3-(4-Methylpiperazin-1-ylsulfonyl)phenylboronic acid pinacol ester,
1-Methyl-4-((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)piperazine,
SCHEMBL15306961,
AKOS027430535,
ZINC209781615,
C-0541,
3-(4-Methylpiperazin-1-ylsulfonyl)phenylboronic acid, pinacol ester,
1-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpiperazine,
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| Complexity | 566 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.283g/mol |
| Monoisotopic Mass | 366.178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.5A^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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