AG003KD8

832114-04-2 | 2-Trifluoromethoxyphenylboronic acid, pinacol ester

AG003KD8

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CAS Number	832114-04-2
Catalog Number	AG003KD8(AGN-PC-0KKO27)
Chemical Name	2-Trifluoromethoxyphenylboronic acid, pinacol ester
IUPAC Name	4,4,5,5-tetramethyl-2-[2-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
InChI	InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-7-5-6-8-10(9)18-13(15,16)17/h5-8H,1-4H3
InChI Key	MJVAGGBGGPTBIJ-UHFFFAOYSA-N
MDL Number	MFCD05863918
Molecular Formula	C13H16BF3O3
Molecular Weight	288.0705
SMILES	FC(OC1=C(C=CC=C1)B1OC(C)(C)C(C)(C)O1)(F)F
Synonyms	832114-04-2, 4,4,5,5-Tetramethyl-2-(2-trifluoromethoxyphenyl)-1,3,2-dioxaborolane, 4,4,5,5-Tetramethyl-2-(2-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-[2-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane, 2-(Trifluoromethoxy)phenylboronic acid pinacol ester, 2-trifluoromethoxyphenylboronic acid, pinacol ester, AC1MC31Q, 2-(trifluoromethoxy)phenylboronic acid, pinacol ester, CTK8B7493, DTXSID90375254, BM282, ANW-57475, MFCD05863918, AKOS015960081, ZINC169794287, AB22725, RTR-025923, BC000550, DB-056694, CS-0081143, FT-0644887, B-5334, A840530, 2-(Trifluoromethoxy)phenylboronic acid pinacol ester, AldrichCPR, 4,4,5,5-tetramethyl-2-[2-(trifluoromethyloxy)phenyl]-1,3,2-dioxaborolane, ACN-034301, CID2760601, 2-Trifluoromethoxyphenylboronic acid pinacol ester,

Complexity	341
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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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