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Home > Boronic Acids > 863868-27-3
863868-27-3 | N-(4-CYANO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) PHENYL)ETHANAMIDE
CAS No: 863868-27-3 Catalog No: AG004OCG MDL No:
Product Description
Catalog Number:
AG004OCG
Chemical Name:
N-(4-CYANO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) PHENYL)ETHANAMIDE
CAS Number:
863868-27-3
Molecular Formula:
C15H19BN2O3
Molecular Weight:
286.1340
IUPAC Name:
N-[4-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI:
InChI=1S/C15H19BN2O3/c1-10(19)18-12-7-6-11(9-17)13(8-12)16-20-14(2,3)15(4,5)21-16/h6-8H,1-5H3,(H,18,19)
InChI Key:
XBZMNRKTGZACIO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)NC(=O)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.149g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.138g/mol
Monoisotopic Mass:
286.149g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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