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Home > Boronic Acids > 1139717-76-2
1139717-76-2 | Boronic acid, B-[3-(4-methyl-1-piperazinyl)phenyl]-
CAS No: 1139717-76-2 Catalog No: AG000A7N MDL No:MFCD13194680
Product Description
Catalog Number:
AG000A7N
Chemical Name:
Boronic acid, B-[3-(4-methyl-1-piperazinyl)phenyl]-
CAS Number:
1139717-76-2
Molecular Formula:
C11H17BN2O2
Molecular Weight:
220.0759
MDL Number:
MFCD13194680
IUPAC Name:
[3-(4-methylpiperazin-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C11H17BN2O2/c1-13-5-7-14(8-6-13)11-4-2-3-10(9-11)12(15)16/h2-4,9,15-16H,5-8H2,1H3
InChI Key:
HXGDRMHRVSAMGD-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1cccc(c1)B(O)O
Properties
Complexity:
220
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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