AG008XFW

1084953-47-8 | 5-(Trifluoromethyl)pyridine-3-boronic acid pinacol ester

AG008XFW

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CAS Number	1084953-47-8
Catalog Number	AG008XFW(AGN-PC-09SI2E)
Chemical Name	5-(Trifluoromethyl)pyridine-3-boronic acid pinacol ester
IUPAC Name	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine
InChI	InChI=1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)9-5-8(6-17-7-9)12(14,15)16/h5-7H,1-4H3
InChI Key	LFZDWNHGQKQVIG-UHFFFAOYSA-N
MDL Number	MFCD12198142
Molecular Formula	C12H15BF3NO2
Molecular Weight	273.0592
SMILES	FC(C1=CN=CC(B2OC(C)(C)C(C)(C)O2)=C1)(F)F
Synonyms	1084953-47-8, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine, 5-TRIFLUOROMETHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER, 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridine, 5-(Trifluoromethyl)pyridine-3-boronic acid pinacol ester, PubChem20150, SCHEMBL1085545, 5-Trifluoromethyl-pyridine-3-boronic acid pinacol ester, AMBA00046, DTXSID40694386, LFZDWNHGQKQVIG-UHFFFAOYSA-N, BCP09578, MFCD12198142, AKOS015950213, ZINC169747634, AM85477, CS-W005560, CT-1022, DS-4110, EBD2152911, PB28383, AK115456, BC001126, SC-48953, 4CH-022104, FT-0696428, ST24041437, D-5026, 5-(Trifluoromethyl)pyridine-3-boronic acid pinacol, J-517955, (5-(TRIFLUOROMETHYL)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER, 5-(TRIFLUOROMETHYL)PYRIDIN-3-YLBORONIC ACID PINACOL ESTER, 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethyl-pyridine, 3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethylpyridine, Pyridine, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-, 5-Trifluoromethylpyridine-3-boronic acid,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.115g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	273.062g/mol
Monoisotopic Mass	273.115g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	31.4A^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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