AG00FE4B

741709-58-0 | 2-Acetylpyridine-4-boronic acid pinacol ester

AG00FE4B

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CAS Number	741709-58-0
Catalog Number	AG00FE4B(AGN-PC-0U4NIA)
Chemical Name	2-Acetylpyridine-4-boronic acid pinacol ester
IUPAC Name	1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]ethanone
InChI	InChI=1S/C13H18BNO3/c1-9(16)11-8-10(6-7-15-11)14-17-12(2,3)13(4,5)18-14/h6-8H,1-5H3
InChI Key	DYRIBTLLHRHBGE-UHFFFAOYSA-N
MDL Number	MFCD09952047
Molecular Formula	C13H18BNO3
Molecular Weight	247.0979
SMILES	CC(C1=NC=CC(B2OC(C)(C)C(C)(C)O2)=C1)=O
Synonyms	741709-58-0, 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)ethanone, 2-ACETYLPYRIDINE-4-BORONIC ACID PINACOL ESTER, AK115461, J-503192, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanone, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]ethanone, 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)ethan-1-one, 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]ethan-1-one, SCHEMBL2315142, KS-00000MRG, DTXSID20670305, 1514AC, MFCD09952047, AKOS015950050, ZINC169905592, DS-4111, FCH2829622, MB08256, RL04808, AC-30412, EN000956, AX8069516, FT-0703805, A-9268, A838044, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]ethanone, Ethanone,1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-, C13H18BNO3, ACN-026087,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.138g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.101g/mol
Monoisotopic Mass	247.138g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	48.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number