AG003994

870459-90-8 | [4-(Trifluoromethyl)-2-pyridinyl]boronic acid

AG003994

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CAS Number	870459-90-8
Catalog Number	AG003994(AGN-PC-09SI5H)
Chemical Name	[4-(Trifluoromethyl)-2-pyridinyl]boronic acid
IUPAC Name	[4-(trifluoromethyl)pyridin-2-yl]boronic acid
InChI	InChI=1S/C6H5BF3NO2/c8-6(9,10)4-1-2-11-5(3-4)7(12)13/h1-3,12-13H
InChI Key	KJFNGXQZOZOTHA-UHFFFAOYSA-N
MDL Number	MFCD08063026
Molecular Formula	C6H5BF3NO2
Molecular Weight	190.9156
SMILES	FC(C1=CC(=NC=C1)B(O)O)(F)F
Synonyms	870459-90-8, (4-(Trifluoromethyl)pyridin-2-yl)boronic acid, [4-(trifluoromethyl)pyridin-2-yl]boronic acid, 4-(Trifluoromethyl)pyridine-2-boronic acid, 4-(trifluoromethyl)pyridin-2-ylboronic acid, [4-(trifluoromethyl)-2-pyridinyl]boronic acid, 4-TRIFLUOROMETHYLPYRIDINE-2-BORONIC ACID, Boronic acid, [4-(trifluoromethyl)-2-pyridinyl]-, SCHEMBL14929731, DTXSID80694401, 3725AC, MFCD08063026, AKOS006286933, ZINC169955053, CS-W018367, RL05398, AK110488, AS-49910, SC-94797, [4-(trifluoromethyl)-2-pyridyl]boronic acid, 4CH-005363, A841922, J-513934, Boronic acid, B-[4-(trifluoromethyl)-2-pyridinyl]-, C6H5BF3NO2, 4-TRIFLUOROMETHYLPYRIDINE-2-BORONICACID,

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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