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Home > Boronic Acids > 864754-25-6
864754-25-6 | Benzamide,N-(4-pyridinylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 864754-25-6 Catalog No: AG004QPM MDL No:
Product Description
Catalog Number:
AG004QPM
Chemical Name:
Benzamide,N-(4-pyridinylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
864754-25-6
Molecular Formula:
C19H23BN2O3
Molecular Weight:
338.2085
IUPAC Name:
N-(pyridin-4-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C19H23BN2O3/c1-18(2)19(3,4)25-20(24-18)16-7-5-15(6-8-16)17(23)22-13-14-9-11-21-12-10-14/h5-12H,13H2,1-4H3,(H,22,23)
InChI Key:
DDBHWKCYJNXKNG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NCc1ccncc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.18g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.214g/mol
Monoisotopic Mass:
338.18g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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