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Home > Boronic Acids > 1256355-29-9
1256355-29-9 | Boronic acid, B-[2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]-
CAS No: 1256355-29-9 Catalog No: AG000O3F MDL No:MFCD07375170
Product Description
Catalog Number:
AG000O3F
Chemical Name:
Boronic acid, B-[2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]-
CAS Number:
1256355-29-9
Molecular Formula:
C9H15BN4O2
Molecular Weight:
222.0520
MDL Number:
MFCD07375170
IUPAC Name:
[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]boronic acid
InChI:
InChI=1S/C9H15BN4O2/c1-13-2-4-14(5-3-13)9-11-6-8(7-12-9)10(15)16/h6-7,15-16H,2-5H2,1H3
InChI Key:
FEYYRRPONOKNQL-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1)N1CCN(CC1)C)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.129g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.055g/mol
Monoisotopic Mass:
222.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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