AG000AR0

1141886-36-3 | 5-Fluoro-1,6-dihydro-6-oxopyridine-3-boronic acid

AG000AR0

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CAS Number	1141886-36-3
Catalog Number	AG000AR0(AGN-PC-0WAGEP)
Chemical Name	5-Fluoro-1,6-dihydro-6-oxopyridine-3-boronic acid
IUPAC Name	(5-fluoro-6-oxo-1H-pyridin-3-yl)boronic acid
InChI	InChI=1S/C5H5BFNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2,10-11H,(H,8,9)
InChI Key	RNRSXDBJJSBHFY-UHFFFAOYSA-N
MDL Number	MFCD12964544
Molecular Formula	C5H5BFNO3
Molecular Weight	156.9075
SMILES	O=C1C(F)=CC(B(O)O)=CN1
Synonyms	1141886-36-3, (5-Fluoro-6-hydroxypyridin-3-yl)boronic acid, 5-fluoro-6-hydroxypyridin-3-ylboronic acid, (5-Fluoro-6-oxo-1,6-dihydropyridin-3-yl)boronic acid, C5H5BFNO3, CTK8B9617, DTXSID60725469, 2361AA, ANW-62783, AKOS016004338, AKOS026743239, ZINC169982765, RL00554, 3-Fluoro-2-hydroxypyridine-5-boronic acid, TC-151528, 4CH-005106, FT-0732849, A-9242, 5-Fluoro-6-oxo-1,6-dihydropyridine-3-boronic Acid, J-517538, ACN-029482, Boronic acid, B-(5-fluoro-1,6-dihydro-6-oxo-3-pyridinyl)-,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.035g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	156.907g/mol
Monoisotopic Mass	157.035g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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