AG0026SM

179113-90-7 | Boronic acid, B-[3-(trifluoromethoxy)phenyl]-

AG0026SM

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CAS Number	179113-90-7
Catalog Number	AG0026SM(AGN-PC-0KK6JD)
Chemical Name	Boronic acid, B-[3-(trifluoromethoxy)phenyl]-
IUPAC Name	[3-(trifluoromethoxy)phenyl]boronic acid
InChI	InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-3-1-2-5(4-6)8(12)13/h1-4,12-13H
InChI Key	UWDFWVLAHRQSKK-UHFFFAOYSA-N
MDL Number	MFCD01320697
Molecular Formula	C7H6BF3O3
Molecular Weight	205.9269
SMILES	FC(F)(F)OC1=CC(B(O)O)=CC=C1
Synonyms	179113-90-7, 3-(Trifluoromethoxy)phenylboronic acid, 3-Trifluoromethoxyphenylboronic acid, (3-(Trifluoromethoxy)phenyl)boronic acid, 3-(Trifluoromethoxy)benzeneboronic Acid, [3-(trifluoromethoxy)phenyl]boronic Acid, MFCD01320697, m-(trifluoromethoxy)phenylboronic acid, 3-(trifluoromethoxy)phenyl boronic acid, Boronic acid, [3-(trifluoromethoxy)phenyl]-, Boronic acid, B-[3-(trifluoromethoxy)phenyl]-, 3-Trifluoromethoxyphenylboronic acid, 98%, 3-(Trifluoromethoxy)phenylboronicacid, PubChem7893, ACMC-1BXPT, AC1MC10L, SCHEMBL28261, KSC174O3P, Jsp003686, CTK0H4737, DTXSID40370274, UWDFWVLAHRQSKK-UHFFFAOYSA-N, BM249, AC1Q7169, ACT04742, BCP21459, KS-00000F5I, 3-trifluoromethoxybenzeneboronic acid, 3-trifluoromethoxy-phenylboronic acid, 3-trifluoromethoxyphenyl boronic acid, ANW-22963, BBL104380, CT-242, SBB093558, STL558637, 3-Trifluoromethoxy-benzeneboronic acid, 3-trifluoromethoxybenzene boronic acid, 3-trifluoromethoxylphenyl boronic acid, 3-(Trifluoromethoxy)phenylboranic acid, 3-trifluoromethoxy-phenyl boronic acid, AKOS004116215, ZINC169743274, [3-(Trifluoromethoxy)Phenyl]Boranediol, AB09003, AC-5362, CS-W015357, LS10854, PS-9533, QC-4548, RP09024, RTC-069453, TRA0027692, VB10411, 3-(trifluoromethoxy) phenylboronic acid, 3-(trifluoromethoxy)-phenylboronic acid, NCGC00249558-01, AK-28909, AN-11060, BP-20269, BR-28909, SC-01875, SY014636, TL806293, (3-(trifluoro methoxy)phenyl)boronic acid, AB0005499, AB1003183, DB-010503, TC-069453, A3975, AM20060165, FT-0613901, ST24032038, {3-[(trifluoromethyl)oxy]phenyl}boronic acid, MFCD01320697 (98%), B-2300, I01-0839, J-513118, C7H6BF3O3, ACN-032733, CID2734385, m-(Trifluoromethoxy)benzeneboronic acid, (m-(Trifluoromethoxy)phenyl)metaboric acid, T2362, 3-(Trifluoromethoxy)phenylboronic acid, 98% - 1G 1g, 3-Trifluoromethoxyphenylboronic acid (contains varying amounts of Anhydride),

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.036g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	205.927g/mol
Monoisotopic Mass	206.036g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.7A^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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