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Home > Boronic Acids > 864759-43-3
864759-43-3 | Benzamide,N-ethyl-N-(4-pyridinylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 864759-43-3 Catalog No: AG004QPD MDL No:
Product Description
Catalog Number:
AG004QPD
Chemical Name:
Benzamide,N-ethyl-N-(4-pyridinylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
864759-43-3
Molecular Formula:
C21H27BN2O3
Molecular Weight:
366.2617
IUPAC Name:
N-ethyl-N-(pyridin-4-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C21H27BN2O3/c1-6-24(15-16-11-13-23-14-12-16)19(25)17-7-9-18(10-8-17)22-26-20(2,3)21(4,5)27-22/h7-14H,6,15H2,1-5H3
InChI Key:
FETCIMGEIJVGDZ-UHFFFAOYSA-N
SMILES:
CCN(C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)Cc1ccncc1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.211g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.268g/mol
Monoisotopic Mass:
366.211g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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