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Home > Boronic Acids > 2096334-62-0
2096334-62-0 | 3-Fluoro-2-(N-methylpiperazinomethyl)phenylboronic acid pinacol ester, DiHCl
CAS No: 2096334-62-0 Catalog No: AG01EHQT MDL No:MFCD20529512
Product Description
Catalog Number:
AG01EHQT
Chemical Name:
3-Fluoro-2-(N-methylpiperazinomethyl)phenylboronic acid pinacol ester, DiHCl
CAS Number:
2096334-62-0
MDL Number:
MFCD20529512
IUPAC Name:
1-[[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-4-methylpiperazine;dihydrochloride
InChI:
InChI=1S/C18H28BFN2O2.2ClH/c1-17(2)18(3,4)24-19(23-17)15-7-6-8-16(20)14(15)13-22-11-9-21(5)10-12-22;;/h6-8H,9-13H2,1-5H3;2*1H
InChI Key:
QNNJUMQWXVOMBL-UHFFFAOYSA-N
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.176g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
407.158g/mol
Monoisotopic Mass:
406.176g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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