AG009VVW

1349151-98-9 | 1-Isopropyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester

AG009VVW

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CAS Number	1349151-98-9
Catalog Number	AG009VVW(AGN-PC-0WAKSU)
Chemical Name	1-Isopropyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester
IUPAC Name	1-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
InChI	InChI=1S/C14H22BNO3/c1-10(2)16-9-11(7-8-12(16)17)15-18-13(3,4)14(5,6)19-15/h7-10H,1-6H3
InChI Key	MPMZBWLBVFEODR-UHFFFAOYSA-N
MDL Number	MFCD16995643
Molecular Formula	C14H22BNO3
Molecular Weight	263.1404
SMILES	O=C1C=CC(B2OC(C)(C)C(C)(C)O2)=CN1C(C)C
Synonyms	1349151-98-9, 1-ISOPROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2(1H)-ONE, 1-Isopropyl-6-oxo-1,6-dihydropyridine-3-boronic Acid Pinacol Ester, SCHEMBL505914, MPMZBWLBVFEODR-UHFFFAOYSA-N, MFCD16995643, ZINC199997711, MB18685, AS-55584, SY034564, MFCD16995643 (97%), 1-Isopropyl-6-oxo-1,6-dihydropyridine-3-boronic acid piinacol ester, 1-isopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-on, 1-isopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one, 1-(propan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one,

Complexity	436
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.169g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.144g/mol
Monoisotopic Mass	263.169g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	38.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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