| CAS Number | 2096336-20-6 |
| Catalog Number | AG01EHEE |
| Chemical Name | 5-(4-Methylpiperazino)methylthiophene-2-boronic acid, pinacol ester |
| IUPAC Name | 1-methyl-4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]piperazine |
| InChI | InChI=1S/C16H27BN2O2S/c1-15(2)16(3,4)21-17(20-15)14-7-6-13(22-14)12-19-10-8-18(5)9-11-19/h6-7H,8-12H2,1-5H3 |
| InChI Key | SLSFVUIIEXDKBD-UHFFFAOYSA-N |
| MDL Number | MFCD22192536 |
| Molecular Formula | C16H27BN2O2S |
| Molecular Weight | 322.2738 |
| SMILES | CN1CCN(CC1)Cc1ccc(s1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 5-(4-Methylpiperazino)methylthiophene-2-boronic acid, pinacol ester,
2096336-20-6,
1-Methyl-4-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)methyl)piperazine,
MFCD22192536,
AKOS027352662,
ZINC169978495,
B-9366,
N/A,
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| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.274g/mol |
| Monoisotopic Mass | 322.189g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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