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Home > Boronic Acids > 2096336-69-3
2096336-69-3 | 5-(4-Methylpiperazinomethyl)-2-chlorophenylboronic acid, pinacol ester
CAS No: 2096336-69-3 Catalog No: AG01EHFC MDL No:MFCD19684131
Product Description
Catalog Number:
AG01EHFC
Chemical Name:
5-(4-Methylpiperazinomethyl)-2-chlorophenylboronic acid, pinacol ester
CAS Number:
2096336-69-3
MDL Number:
MFCD19684131
IUPAC Name:
1-[[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-4-methylpiperazine
InChI:
InChI=1S/C18H28BClN2O2/c1-17(2)18(3,4)24-19(23-17)15-12-14(6-7-16(15)20)13-22-10-8-21(5)9-11-22/h6-7,12H,8-11,13H2,1-5H3
InChI Key:
IIFYIGHEJDTKNT-UHFFFAOYSA-N
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.193g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.694g/mol
Monoisotopic Mass:
350.193g/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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