AG00IETA

878805-74-4 | Pyridine,1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoroacetyl)-

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CAS Number	878805-74-4
Catalog Number	AG00IETA(AGN-PC-0VHEG8)
Chemical Name	Pyridine,1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoroacetyl)-
IUPAC Name	2,2,2-trifluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
InChI	InChI=1S/C13H19BF3NO3/c1-11(2)12(3,4)21-14(20-11)9-5-7-18(8-6-9)10(19)13(15,16)17/h5H,6-8H2,1-4H3
InChI Key	ZOLWQCYZJVCWJM-UHFFFAOYSA-N
MDL Number	MFCD18427630
Molecular Formula	C13H19BF3NO3
Molecular Weight	305.1011
SMILES	CC1(C)C(C)(C)OB(C2=CCN(C(C(F)(F)F)=O)CC2)O1
Synonyms	878805-74-4, 2,2,2-trifluoro-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridin-1(2H)-yl)ethanone, AK131587, SCHEMBL3555979, DTXSID30744627, ZOLWQCYZJVCWJM-UHFFFAOYSA-N, KS-00000RG4, MFCD18427630, AKOS016015165, ZINC169992875, DS-6943, FCH2804524, RL05477, CS-0061112, J-506727, 2,2,2-Trifluoro-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydropyridin-1(2H)-yl)ethan, 2,2,2-TRIFLUORO-1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,6-DIHYDRO-2H-PYRIDIN-1-YL]ETHANONE, 2,2,2-Trifluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoroacetyl)-1,2,3,6-tetrahydropyridine, Pyridine,1,2,3,6-tetrahydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(trifluoroacetyl)-,

Complexity	458
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	305.141g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	305.104g/mol
Monoisotopic Mass	305.141g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	38.8A^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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