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Home > Boronic Acids > 864759-38-6
864759-38-6 | Benzamide,N-4-pyridinyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 864759-38-6 Catalog No: AG004WHH MDL No:
Product Description
Catalog Number:
AG004WHH
Chemical Name:
Benzamide,N-4-pyridinyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
864759-38-6
Molecular Formula:
C18H21BN2O3
Molecular Weight:
324.1819
IUPAC Name:
N-pyridin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C18H21BN2O3/c1-17(2)18(3,4)24-19(23-17)14-7-5-13(6-8-14)16(22)21-15-9-11-20-12-10-15/h5-12H,1-4H3,(H,20,21,22)
InChI Key:
XELVDNPEYWCOLM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)Nc1ccncc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.165g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.187g/mol
Monoisotopic Mass:
324.165g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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