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Home > Boronic Acids > 1236360-37-4

1236360-37-4

1236360-37-4 | Boronic acid, B-[6-(4-acetyl-1-piperazinyl)-3-pyridinyl]-

CAS No: 1236360-37-4 Catalog No: AG000KWN MDL No:MFCD18382842

Product Description

Catalog Number:
AG000KWN
Chemical Name:
Boronic acid, B-[6-(4-acetyl-1-piperazinyl)-3-pyridinyl]-
CAS Number:
1236360-37-4
Molecular Formula:
C11H16BN3O3
Molecular Weight:
249.0740
MDL Number:
MFCD18382842
IUPAC Name:
[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C11H16BN3O3/c1-9(16)14-4-6-15(7-5-14)11-3-2-10(8-13-11)12(17)18/h2-3,8,17-18H,4-7H2,1H3
InChI Key:
HRJIKCYCCSDIFO-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)c1ccc(cn1)B(O)O

Properties

Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.128g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.077g/mol
Monoisotopic Mass:
249.128g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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