AG003649

474709-28-9 | 4-Trifluoromethoxyphenylboronic acid, pinacol ester

AG003649

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CAS Number	474709-28-9
Catalog Number	AG003649(AGN-PC-0KKO29)
Chemical Name	4-Trifluoromethoxyphenylboronic acid, pinacol ester
IUPAC Name	4,4,5,5-tetramethyl-2-[4-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
InChI	InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-5-7-10(8-6-9)18-13(15,16)17/h5-8H,1-4H3
InChI Key	ZSFXWWRILASQRI-UHFFFAOYSA-N
MDL Number	MFCD05863920
Molecular Formula	C13H16BF3O3
Molecular Weight	288.0705
SMILES	CC1(OB(OC1(C)C)C1=CC=C(C=C1)OC(F)(F)F)C
Synonyms	474709-28-9, 4,4,5,5-Tetramethyl-2-(4-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane, 4,4,5,5-Tetramethyl-2-(4-trifluoromethoxyphenyl)-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-[4-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane, 4-(Trifluoromethoxy)phenylboronic acid pinacol ester, 4-trifluoromethoxyphenylboronic acid, pinacol ester, 4-(trifluoromethoxy)phenylboronic acid, pinacol ester, (4-(trifluoromethoxy)phenyl) boronic acid pinacol ester, AC1MC31W, AMTB427, SCHEMBL5238603, CTK8B7499, DTXSID10375256, ZSFXWWRILASQRI-UHFFFAOYSA-N, BM284, KS-000022DA, ANW-57483, MFCD05863920, AKOS015960085, ZINC169839969, AB22732, AS-2517, RTR-017509, BC000413, DB-051454, CS-0081148, FT-0644715, B-3245, A827237, 4-(Trifluoromethoxy)phenylboronic acid pinacol ester, 97%, (4-(TRIFLUOROMETHOXY)PHENYL)BORONIC ACID PINACOL ESTER, 4,4,5,5-tetramethyl-2-[4-(trifluoromethyloxy)phenyl]-1,3,2-dioxaborolane, 1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-[4-(TRIFLUOROMETHOXY)PHENYL]-, 1-(Trifluoromethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzene, C13H16BF3O3, ACN-044277, CID2760603, 4,4,5,5-TETRAMETHYL-2- -1,3,2-DIOXABOROLANE,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.114g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	288.073g/mol
Monoisotopic Mass	288.114g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	27.7A^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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