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Home > Boronic Acids > 229009-40-9
229009-40-9 | Boronic acid, B-[4-(4-methyl-1-piperazinyl)phenyl]-
CAS No: 229009-40-9 Catalog No: AG002LF6 MDL No:MFCD11223486
Product Description
Catalog Number:
AG002LF6
Chemical Name:
Boronic acid, B-[4-(4-methyl-1-piperazinyl)phenyl]-
CAS Number:
229009-40-9
Molecular Formula:
C11H17BN2O2
Molecular Weight:
220.0759
MDL Number:
MFCD11223486
IUPAC Name:
[4-(4-methylpiperazin-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C11H17BN2O2/c1-13-6-8-14(9-7-13)11-4-2-10(3-5-11)12(15)16/h2-5,15-16H,6-9H2,1H3
InChI Key:
LSKYURVDOIDSCG-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)N1CCN(CC1)C)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.138g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.079g/mol
Monoisotopic Mass:
220.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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