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Home > Boronic Acids > 1449132-28-8
1449132-28-8 | 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-pyrrolidine-2,5-dione
CAS No: 1449132-28-8 Catalog No: AG00HX9A MDL No:MFCD16294531
Product Description
Catalog Number:
AG00HX9A
Chemical Name:
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-pyrrolidine-2,5-dione
CAS Number:
1449132-28-8
Molecular Formula:
C17H22BNO4
Molecular Weight:
315.1719
MDL Number:
MFCD16294531
IUPAC Name:
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C17H22BNO4/c1-16(2)17(3,4)23-18(22-16)13-7-5-12(6-8-13)11-19-14(20)9-10-15(19)21/h5-8H,9-11H2,1-4H3
InChI Key:
RGQNAHQTQMHHTJ-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.164g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.176g/mol
Monoisotopic Mass:
315.164g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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