AG0002Y6

1008140-70-2 | 2-(Trifluoromethoxy)pyridine-5-boronic acid

AG0002Y6

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CAS Number	1008140-70-2
Catalog Number	AG0002Y6(AGN-PC-07HB1A)
Chemical Name	2-(Trifluoromethoxy)pyridine-5-boronic acid
IUPAC Name	[6-(trifluoromethoxy)pyridin-3-yl]boronic acid
InChI	InChI=1S/C6H5BF3NO3/c8-6(9,10)14-5-2-1-4(3-11-5)7(12)13/h1-3,12-13H
InChI Key	UTNFOSHVMVOKPG-UHFFFAOYSA-N
MDL Number	MFCD07374890
Molecular Formula	C6H5BF3NO3
Molecular Weight	206.9150
SMILES	OB(O)C1=CC=C(OC(F)(F)F)N=C1
Synonyms	1008140-70-2, (6-(Trifluoromethoxy)pyridin-3-yl)boronic acid, [6-(Trifluoromethoxy)pyridin-3-yl]boronic acid, 6-(Trifluoromethoxy)pyridine-3-boronic acid, AK-25243, J-502778, Boronic acid, B-[6-(trifluoromethoxy)-3-pyridinyl]-, SCHEMBL3693742, CTK8C2988, DTXSID40672104, ANW-69450, MFCD07374890, AKOS015950016, ZINC169916911, FCH1383065, RP26274, 6-Trifluoromethoxypyridine-3-boronicacid, 6-Trifluoromethoxypyridine-3-boronic acid, DS-10682, AX8159771, TC-158195, 2-(Trifluoromethoxy)pyridine-5-boronic acid, FT-0647916, [6-(trifluoromethoxy)-3-pyridyl]boronic acid, [6-(trifluoromethoxy)-3-pyridinyl]boronic acid, [6-(trifluoromethyloxy)pyridin-3-yl]boronic acid, 6-(Trifluoromethoxy)pyridin-3-yl]boronic acid,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.031g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	206.915g/mol
Monoisotopic Mass	207.031g/mol
Rotatable Bond Count	2
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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