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Home > Boronic Acids > 1228182-95-3
1228182-95-3 | (3-(4-acetylpiperazin-1-yl)phenyl)boronic acid
CAS No: 1228182-95-3 Catalog No: AG00HH0D MDL No:MFCD18383664
Product Description
Catalog Number:
AG00HH0D
Chemical Name:
(3-(4-acetylpiperazin-1-yl)phenyl)boronic acid
CAS Number:
1228182-95-3
Molecular Formula:
C12H17BN2O3
Molecular Weight:
248.0860
MDL Number:
MFCD18383664
IUPAC Name:
[3-(4-acetylpiperazin-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C12H17BN2O3/c1-10(16)14-5-7-15(8-6-14)12-4-2-3-11(9-12)13(17)18/h2-4,9,17-18H,5-8H2,1H3
InChI Key:
QLLLVOUPTPJEGR-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)c1cccc(c1)B(O)O
Properties
Complexity:
293
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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