AG000SQX

1264127-92-5 | Boronic acid, B-[5-fluoro-2-(1-methylethoxy)-4-pyridinyl]-

AG000SQX

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CAS Number	1264127-92-5
Catalog Number	AG000SQX(AGN-PC-086FCX)
Chemical Name	Boronic acid, B-[5-fluoro-2-(1-methylethoxy)-4-pyridinyl]-
IUPAC Name	(5-fluoro-2-propan-2-yloxypyridin-4-yl)boronic acid
InChI	InChI=1S/C8H11BFNO3/c1-5(2)14-8-3-6(9(12)13)7(10)4-11-8/h3-5,12-13H,1-2H3
InChI Key	IEMIVKVJKMZTOE-UHFFFAOYSA-N
MDL Number	MFCD07374987
Molecular Formula	C8H11BFNO3
Molecular Weight	198.9872
SMILES	CC(OC1=NC=C(F)C(B(O)O)=C1)C
Synonyms	(5-Fluoro-2-isopropoxypyridin-4-yl)boronic acid, 1264127-92-5, 5-Fluoro-2-isopropoxypyridine-4-boronic acid, AK-93595, [5-FLUORO-2-(PROPAN-2-YLOXY)PYRIDIN-4-YL]BORONIC ACID, ACMC-209bb9, CTK8A9924, DTXSID90678232, ANW-18931, FCH855952, MFCD07374987, AKOS006287736, ZINC169746525, AB40881, KS-00000Q11, AS-48789, PC412141, AX8230977, TC-107676, ST24020630, Z9322, 5-fluoro-2-isopropoxypyridin-4-ylboronic acid, (5-fluoro-2-isopropoxy-4-pyridyl)boronic acid, A-2951, I04-2875, (5-fluoro-2-propan-2-yloxy-4-pyridinyl)boronic acid, (5-fluoro-2-propan-2-yloxypyridin-4-yl)boronic acid, (5-fluoranyl-2-propan-2-yloxy-pyridin-4-yl)boronic acid, {5-Fluoro-2-[(propan-2-yl)oxy]pyridin-4-yl}boronic acid, Boronic acid, B-[5-fluoro-2-(1-methylethoxy)-4-pyridinyl]-, C8H11BFNO3, (5-Fluoro-2-isopropoxypyridin-4-yl)boronicacid,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.082g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	198.988g/mol
Monoisotopic Mass	199.082g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^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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