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Home > Boronic Acids > 1357285-17-6
1357285-17-6 | (3-(piperazine-1-carbonyl)phenyl)boronic acid
CAS No: 1357285-17-6 Catalog No: AG009CM4 MDL No:
Product Description
Catalog Number:
AG009CM4
Chemical Name:
(3-(piperazine-1-carbonyl)phenyl)boronic acid
CAS Number:
1357285-17-6
Molecular Formula:
C11H15BN2O3
Molecular Weight:
234.0594
IUPAC Name:
[3-(piperazine-1-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H15BN2O3/c15-11(14-6-4-13-5-7-14)9-2-1-3-10(8-9)12(16)17/h1-3,8,13,16-17H,4-7H2
InChI Key:
ZFXQQOXYPSOMCT-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)N1CCNCC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.062g/mol
Monoisotopic Mass:
234.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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