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Home > Boronic Acids > 850411-06-2
850411-06-2 | Benzamide,N-(2,2-dimethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 850411-06-2 Catalog No: AG004PS2 MDL No:
Product Description
Catalog Number:
AG004PS2
Chemical Name:
Benzamide,N-(2,2-dimethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
850411-06-2
Molecular Formula:
C17H26BNO5
Molecular Weight:
335.2030
IUPAC Name:
N-(2,2-dimethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C17H26BNO5/c1-16(2)17(3,4)24-18(23-16)13-9-7-12(8-10-13)15(20)19-11-14(21-5)22-6/h7-10,14H,11H2,1-6H3,(H,19,20)
InChI Key:
FQLNWUNLGCBRLM-UHFFFAOYSA-N
SMILES:
COC(CNC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.19g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.207g/mol
Monoisotopic Mass:
335.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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