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Home > Boronic Acids > 1286778-37-7
1286778-37-7 | Boronic acid, B-[5-(4-methyl-1-piperazinyl)-3-pyridinyl]-
CAS No: 1286778-37-7 Catalog No: AG000YAQ MDL No:
Product Description
Catalog Number:
AG000YAQ
Chemical Name:
Boronic acid, B-[5-(4-methyl-1-piperazinyl)-3-pyridinyl]-
CAS Number:
1286778-37-7
Molecular Formula:
C10H16BN3O2
Molecular Weight:
221.0639
IUPAC Name:
[5-(4-methylpiperazin-1-yl)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C10H16BN3O2/c1-13-2-4-14(5-3-13)10-6-9(11(15)16)7-12-8-10/h6-8,15-16H,2-5H2,1H3
InChI Key:
FJDRTVXGKCZBAQ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cncc(c1)B(O)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.134g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.067g/mol
Monoisotopic Mass:
221.134g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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