AG009CL8

1219931-41-5 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1,2,3,6-tetrahydropyridine

AG009CL8

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CAS Number	1219931-41-5
Catalog Number	AG009CL8(AGN-PC-0WALU7)
Chemical Name	4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1,2,3,6-tetrahydropyridine
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
InChI	InChI=1S/C13H21BF3NO2/c1-11(2)12(3,4)20-14(19-11)10-5-7-18(8-6-10)9-13(15,16)17/h5H,6-9H2,1-4H3
InChI Key	UFKUKPYUIMQHQV-UHFFFAOYSA-N
MDL Number	MFCD18383322
Molecular Formula	C13H21BF3NO2
Molecular Weight	291.1175
SMILES	CC1(OB(OC1(C)C)C=1CCN(CC1)CC(F)(F)F)C
Synonyms	1219931-41-5, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-(2,2,2-TRIFLUOROETHYL)-1,2,3,6-TETRAHYDROPYRIDINE, SCHEMBL13393554, CS-B0966, MFCD18383322, ZINC206768967, AB75488, CS-14997, 1-(2,2,2-TRIFLUOROETHYL)-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC ACID PINACOL ESTER, 1-(2,2,2-TRIFLUOROETHYL)-1,2,3,6-TETRAHYDROPYRIDINE-4-BORONIC?ACID?PINACOL?ESTER, 1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-pyridine,

Complexity	391
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.162g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	291.121g/mol
Monoisotopic Mass	291.162g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	21.7A^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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