AG000BZ2

1162257-58-0 | Boronic acid, B-[5-(trifluoromethyl)-2-pyridinyl]-

AG000BZ2

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CAS Number	1162257-58-0
Catalog Number	AG000BZ2(AGN-PC-01LR7Z)
Chemical Name	Boronic acid, B-[5-(trifluoromethyl)-2-pyridinyl]-
IUPAC Name	[5-(trifluoromethyl)pyridin-2-yl]boronic acid
InChI	InChI=1S/C6H5BF3NO2/c8-6(9,10)4-1-2-5(7(12)13)11-3-4/h1-3,12-13H
InChI Key	QGHRRKVXTZBZFZ-UHFFFAOYSA-N
MDL Number	MFCD06227445
Molecular Formula	C6H5BF3NO2
Molecular Weight	190.9156
SMILES	OB(c1ccc(cn1)C(F)(F)F)O
Synonyms	1162257-58-0, 5-(Trifluoromethyl)pyridine-2-boronic acid, (5-(Trifluoromethyl)pyridin-2-yl)boronic acid, 5-(trifluoromethyl)pyridin-2-ylboronic acid, [5-(trifluoromethyl)pyridin-2-yl]boronic acid, 5-(Trifluoromethyl)pyridin-2-boronic acid, [5-(trifluoromethyl)-2-pyridinyl]boronic acid, Boronic acid, B-[5-(trifluoromethyl)-2-pyridinyl]-, SCHEMBL551486, ACMC-2099s8, BA04, CTK4A9688, DTXSID50590542, KS-00000Q5D, ANW-16950, MFCD06227445, AKOS006292564, ZINC169933748, AB23487, CS-W018365, QC-4762, RL00624, AK-84958, BC000916, DS-17578, SY024074, 2-(TRIMETHYLSILYLMETHYL)ALLYLACETATE, AB0029503, TR-034154, [5-(trifluoromethyl)-2-pyridyl]boronic acid, X1646, MFCD06227445 (95%), A-5215, A803576, I02-3479, J-516456, C6H5BF3NO2, 72047-94-0,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.037g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.916g/mol
Monoisotopic Mass	191.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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