AG000BZ1

1162257-61-5 | Boronic acid, B-[6-(trifluoromethyl)-2-pyridinyl]-

AG000BZ1

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CAS Number	1162257-61-5
Catalog Number	AG000BZ1(AGN-PC-01LR84)
Chemical Name	Boronic acid, B-[6-(trifluoromethyl)-2-pyridinyl]-
IUPAC Name	[6-(trifluoromethyl)pyridin-2-yl]boronic acid
InChI	InChI=1S/C6H5BF3NO2/c8-6(9,10)4-2-1-3-5(11-4)7(12)13/h1-3,12-13H
InChI Key	MPRJCLNUBHVSPK-UHFFFAOYSA-N
MDL Number	MFCD08061586
Molecular Formula	C6H5BF3NO2
Molecular Weight	190.9156
SMILES	OB(c1cccc(n1)C(F)(F)F)O
Synonyms	1162257-61-5, 6-(Trifluoromethyl)pyridine-2-boronic acid, (6-(Trifluoromethyl)pyridin-2-yl)boronic acid, [6-(trifluoromethyl)pyridin-2-yl]boronic acid, 6-(Trifluoromethyl)pyridin-2-boronic acid, Boronic acid, B-[6-(trifluoromethyl)-2-pyridinyl]-, ACMC-2099s9, BA40, CTK4A9689, DTXSID90590546, ANW-16951, MFCD08061586, AKOS006286918, ZINC169933752, AB43328, AS-55224, BC000920, DA-15147, 6-(trifluoromethyl)pyridin-2-ylboronic acid, TR-034155, [6-(trifluoromethyl)-2-pyridyl]boronic acid, FT-0747536, Z7764, A-5216, I02-3478, [6-(TRIFLUOROMETHYL)-2-PYRIDINYL]BORONIC ACID, C6H5BF3NO2, 6-(Trifluoromethyl)pyridine-2-boronic acid pinacol ester,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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