| CAS Number | 2096331-52-9 |
| Catalog Number | AG01EHON |
| Chemical Name | 3-Bromo-5-(1-t-BOC-piperidin-4-yl)methoxyphenylboronic acid |
| IUPAC Name | [3-bromo-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phenyl]boronic acid |
| InChI | InChI=1S/C17H25BBrNO5/c1-17(2,3)25-16(21)20-6-4-12(5-7-20)11-24-15-9-13(18(22)23)8-14(19)10-15/h8-10,12,22-23H,4-7,11H2,1-3H3 |
| InChI Key | KPXQQBFMXZATJL-UHFFFAOYSA-N |
| MDL Number | MFCD18087693 |
| Molecular Formula | C17H25BBrNO5 |
| Molecular Weight | 414.0991 |
| SMILES | Brc1cc(OCC2CCN(CC2)C(=O)OC(C)(C)C)cc(c1)B(O)O |
| Synonyms | 3-Bromo-5-(1-t-BOC-piperidin-4-yl)methoxyphenylboronic acid,
2096331-52-9,
(3-Bromo-5-((1-(tert-butoxycarbonyl)piperidin-4-yl)methoxy)phenyl)boronic acid,
MFCD18087693,
AKOS027349873,
ZINC169934710,
A-3913,
N/A,
|
| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 414.103g/mol |
| Monoisotopic Mass | 413.101g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 79.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number