AG00368A

1036990-42-7 | 2-(TRIFLUOROMETHYL)PYRIDIN-4-YLBORONIC ACID PINACOL ESTER

AG00368A

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CAS Number	1036990-42-7
Catalog Number	AG00368A(AGN-PC-07H85N)
Chemical Name	2-(TRIFLUOROMETHYL)PYRIDIN-4-YLBORONIC ACID PINACOL ESTER
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine
InChI	InChI=1S/C12H15BF3NO2/c1-10(2)11(3,4)19-13(18-10)8-5-6-17-9(7-8)12(14,15)16/h5-7H,1-4H3
InChI Key	CUQOVOZIDNPNHO-UHFFFAOYSA-N
MDL Number	MFCD09607678
Molecular Formula	C12H15BF3NO2
Molecular Weight	273.0592
SMILES	CC1(OB(OC1(C)C)C1=CC(=NC=C1)C(F)(F)F)C
Synonyms	1036990-42-7, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine, 2-(Trifluoromethyl)pyridine-4-boronic acid pinacol ester, 2-Trifluoromethylpyridine-4-boronic acid pinacol ester, AK-43077, 2-(TRIFLUOROMETHYL)PYRIDIN-4-YLBORONIC ACID PINACOL ESTER, 2-(TRIFLUOROMETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE, SCHEMBL406138, 2-Trifluoromethyl-4-pyridineboronic acid pinacol ester, CTK8C4540, KS-00000OIN, DTXSID60671295, CUQOVOZIDNPNHO-UHFFFAOYSA-N, ABBYPHARMA AP-13-5498, ZX-AP001261, 0887AA, ANW-72314, BBL101748, CT-022, FC0376, MFCD09607678, STL555545, AKOS015943050, ZINC169747625, AB50743, CS-W000625, FCH2823580, PC49307, QC-3517, RL00177, BC001423, DS-14109, SY067984, AB0047060, AX8210494, TC-161059, 4CH-005479, ST24042904, MFCD09607678 (95%), B-1789, A800787, J-513421, (2-(TRIFLUOROMETHYL)PYRIDIN-4-YL)BORONIC ACID PINACOL ESTER, 2-(trifluoromethyl)pyridine-4-boronic acid pinacol ester, AldrichCPR, 4,4,5,5-TETRAMETHYL-2-[2-(TRIFLUOROMETHYL)PYRIDIN-4-YL]-1,3,2-DIOXABOROLANE, 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-2- trifluoromethyl-pyridine, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-2-(trifluoromethyl)pyridine, 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-2-trifluoromethyl-pyridine, 4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)PYRIDINE, PYRIDINE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)-, C12H15BF3NO2,

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	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2811

Certificate of Analysis

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