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Home > Boronic Acids > 2096331-37-0
2096331-37-0 | 3-Chloro-4-(4-methylpiperazinomethyl)phenylboronic acid, pinacol ester
CAS No: 2096331-37-0 Catalog No: AG01EHBB MDL No:MFCD19237216
Product Description
Catalog Number:
AG01EHBB
Chemical Name:
3-Chloro-4-(4-methylpiperazinomethyl)phenylboronic acid, pinacol ester
CAS Number:
2096331-37-0
MDL Number:
MFCD19237216
IUPAC Name:
1-[[2-chloro-4-(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)15-7-6-14(16(20)12-15)13-22-10-8-21(5)9-11-22/h6-7,12H,8-11,13H2,1-5H3
InChI Key:
NNCXAKUJVOAXGY-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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