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Home > Boronic Acids > 2096336-50-2
2096336-50-2 | 3-Chloro-5-(2-piperidon-1-yl)phenylboronic acid, pinacol ester
CAS No: 2096336-50-2 Catalog No: AG01EHJ8 MDL No:MFCD20441905
Product Description
Catalog Number:
AG01EHJ8
Chemical Name:
3-Chloro-5-(2-piperidon-1-yl)phenylboronic acid, pinacol ester
CAS Number:
2096336-50-2
MDL Number:
MFCD20441905
IUPAC Name:
1-[3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-2-one
InChI:
InChI=1S/C17H23BClNO3/c1-16(2)17(3,4)23-18(22-16)12-9-13(19)11-14(10-12)20-8-6-5-7-15(20)21/h9-11H,5-8H2,1-4H3
InChI Key:
PMZHCKIJORTIHQ-UHFFFAOYSA-N
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.146g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.635g/mol
Monoisotopic Mass:
335.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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