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Home > Boronic Acids > 864759-42-2
864759-42-2 | Benzamide,N-methyl-N-[2-(2-pyridinyl)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 864759-42-2 Catalog No: AG004QPE MDL No:
Product Description
Catalog Number:
AG004QPE
Chemical Name:
Benzamide,N-methyl-N-[2-(2-pyridinyl)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
864759-42-2
Molecular Formula:
C21H27BN2O3
Molecular Weight:
366.2617
IUPAC Name:
N-methyl-N-(2-pyridin-2-ylethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C21H27BN2O3/c1-20(2)21(3,4)27-22(26-20)17-11-9-16(10-12-17)19(25)24(5)15-13-18-8-6-7-14-23-18/h6-12,14H,13,15H2,1-5H3
InChI Key:
SETDRDRCLKBLLI-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)CCc1ccccn1
Properties
Complexity:
502
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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