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Home > Boronic Acids > 1384954-82-8
1384954-82-8 | Boronic acid, B-[4-(4-acetyl-1-piperazinyl)phenyl]-
CAS No: 1384954-82-8 Catalog No: AG0019AM MDL No:MFCD21332885
Product Description
Catalog Number:
AG0019AM
Chemical Name:
Boronic acid, B-[4-(4-acetyl-1-piperazinyl)phenyl]-
CAS Number:
1384954-82-8
Molecular Formula:
C12H17BN2O3
Molecular Weight:
248.0860
MDL Number:
MFCD21332885
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
SMILES:
OB(c1ccc(cc1)N1CCN(CC1)C(=O)C)O
Properties
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
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