| CAS Number | 1072946-30-5 |
| Catalog Number | AG003JXY(AGN-PC-0WA8ZS) |
| Chemical Name | 4-(1-BOC-piperidin-4-yloxy)-3-methoxyphenylboronic acid |
| IUPAC Name | [3-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]boronic acid |
| InChI | InChI=1S/C17H26BNO6/c1-17(2,3)25-16(20)19-9-7-13(8-10-19)24-14-6-5-12(18(21)22)11-15(14)23-4/h5-6,11,13,21-22H,7-10H2,1-4H3 |
| InChI Key | QSRZLYBVNHMVDO-UHFFFAOYSA-N |
| MDL Number | MFCD10699636 |
| Molecular Formula | C17H26BNO6 |
| Molecular Weight | 351.2024 |
| SMILES | COc1cc(ccc1OC1CCN(CC1)C(=O)OC(C)(C)C)B(O)O |
| Synonyms | 1072946-30-5,
4-(1-BOC-piperidin-4-yloxy)-3-methoxyphenylboronic acid,
(4-((1-(tert-Butoxycarbonyl)piperidin-4-yl)oxy)-3-methoxyphenyl)boronic acid,
(4-{[1-(tert-Butoxycarbonyl)piperidin-4-yl]oxy}-3-methoxyphenyl)boronic acid,
ACMC-2098ru,
SCHEMBL2557402,
CTK4A5246,
DTXSID00674487,
ANW-15640,
AKOS015837057,
ZINC169903945,
QC-8831,
RTR-001573,
OR360748,
AX8258949,
TR-001573,
A-4562,
I04-1920,
4-(1-(tert-butoxycarbonyl)piperidin-4-yloxy)-3-methoxyphenylboronic acid,
3-Cyanophenylboronic acid,
1246372-53-1,
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| Complexity | 433 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.185g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.206g/mol |
| Monoisotopic Mass | 351.185g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 88.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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