| CAS Number | 1384954-82-8 |
| Catalog Number | AG0019AM(AGN-PC-0WAM3O) |
| Chemical Name | Boronic acid, B-[4-(4-acetyl-1-piperazinyl)phenyl]- |
| IUPAC Name | [4-(4-acetylpiperazin-1-yl)phenyl]boronic acid |
| InChI | InChI=1S/C12H17BN2O3/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(3-5-12)13(17)18/h2-5,17-18H,6-9H2,1H3 |
| InChI Key | NEPZCNSUXGOPPC-UHFFFAOYSA-N |
| MDL Number | MFCD21332885 |
| Molecular Formula | C12H17BN2O3 |
| Molecular Weight | 248.0860 |
| SMILES | C(C)(=O)N1CCN(CC1)C1=CC=C(C=C1)B(O)O |
| Synonyms | 4-(4-Acetyl-1-piperazinyl)phenylboronic Acid,
1384954-82-8,
5965AJ,
MFCD21332885,
AKOS024257329,
ZINC170009720,
TRA0069436,
AS-32112,
SY016152,
AB0072307,
TC-307511,
Z-4359,
(4-(4-Acetylpiperazin-1-yl)phenyl)boronic acid,
[4-(4-Acetyl-1-piperazinyl)phenyl]boronic acid,
MFCD21332885 (95+%),
Boronic acid, B-[4-(4-acetyl-1-piperazinyl)phenyl]-,
C12H17BN2O3,
5122-99-6,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.089g/mol |
| Monoisotopic Mass | 248.133g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number