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Home > Boronic Acids > 1309981-34-7
1309981-34-7 | Boronic acid, B-[6-(4-methyl-1-piperazinyl)-2-pyridinyl]-
CAS No: 1309981-34-7 Catalog No: AG000V8X MDL No:MFCD09878983
Product Description
Catalog Number:
AG000V8X
Chemical Name:
Boronic acid, B-[6-(4-methyl-1-piperazinyl)-2-pyridinyl]-
CAS Number:
1309981-34-7
Molecular Formula:
C10H16BN3O2
Molecular Weight:
221.0639
MDL Number:
MFCD09878983
IUPAC Name:
[6-(4-methylpiperazin-1-yl)pyridin-2-yl]boronic acid
InChI:
InChI=1S/C10H16BN3O2/c1-13-5-7-14(8-6-13)10-4-2-3-9(12-10)11(15)16/h2-4,15-16H,5-8H2,1H3
InChI Key:
RBELAUNQZAKKHW-UHFFFAOYSA-N
SMILES:
OB(c1cccc(n1)N1CCN(CC1)C)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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