| CAS Number | 2088237-61-8 |
| Catalog Number | AG01EHOL |
| Chemical Name | 3-Bromo-5-(4-BOC-piperazino)phenylboronic acid |
| IUPAC Name | [3-bromo-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]boronic acid |
| InChI | InChI=1S/C15H22BBrN2O4/c1-15(2,3)23-14(20)19-6-4-18(5-7-19)13-9-11(16(21)22)8-12(17)10-13/h8-10,21-22H,4-7H2,1-3H3 |
| InChI Key | VCAMDOSUSYAJLG-UHFFFAOYSA-N |
| MDL Number | MFCD18434431 |
| Molecular Formula | C15H22BBrN2O4 |
| Molecular Weight | 385.0612 |
| SMILES | Brc1cc(cc(c1)B(O)O)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 3-Bromo-5-(4-BOC-piperazino)phenylboronic acid,
2088237-61-8,
(3-Bromo-5-(4-(tert-butoxycarbonyl)piperazin-1-yl)phenyl)boronic acid,
C15H22BBrN2O4,
MFCD18434431,
AKOS027368082,
ZINC169934840,
Y2476,
A-3441,
A-3912,
N/A,
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| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 385.065g/mol |
| Monoisotopic Mass | 384.086g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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