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Home > Boronic Acids > 1171044-16-8
1171044-16-8 | Boronic acid, B-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-
CAS No: 1171044-16-8 Catalog No: AG000DQJ MDL No:MFCD16198076
Product Description
Catalog Number:
AG000DQJ
Chemical Name:
Boronic acid, B-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-
CAS Number:
1171044-16-8
Molecular Formula:
C12H19BN2O2
Molecular Weight:
234.1025
MDL Number:
MFCD16198076
IUPAC Name:
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C12H19BN2O2/c1-14-5-7-15(8-6-14)10-11-3-2-4-12(9-11)13(16)17/h2-4,9,16-17H,5-8,10H2,1H3
InChI Key:
NGSHSQFNJGUKCF-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1cccc(c1)B(O)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.154g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.106g/mol
Monoisotopic Mass:
234.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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