AG0023WW

182482-25-3 | Boronic acid, B-(2,4,6-trifluorophenyl)-

AG0023WW

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CAS Number	182482-25-3
Catalog Number	AG0023WW(AGN-PC-0KKZHP)
Chemical Name	Boronic acid, B-(2,4,6-trifluorophenyl)-
IUPAC Name	(2,4,6-trifluorophenyl)boronic acid
InChI	InChI=1S/C6H4BF3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H
InChI Key	IPEIGKHHSZFAEW-UHFFFAOYSA-N
MDL Number	MFCD01863169
Molecular Formula	C6H4BF3O2
Molecular Weight	175.9010
SMILES	OB(O)C1=C(F)C=C(F)C=C1F
Synonyms	2,4,6-Trifluorophenylboronic acid, 182482-25-3, (2,4,6-trifluorophenyl)boronic Acid, 2,4,6-Trifluorobenzeneboronic Acid, 2,4,6-Trifluorophenylboronicacid, MFCD01863169, (2,4,6-trifluorophenyl)boranediol, Boronic acid, (2,4,6-trifluorophenyl)-, Boronic acid, B-(2,4,6-trifluorophenyl)-, 2,4,6-Trifluorophenylboronic acid, 95%, PubChem1788, AC1MCVAO, ACMC-209ejj, CHEMBL91770, SCHEMBL1359177, CTK0H4594, KS-00000UCJ, DTXSID90381390, IPEIGKHHSZFAEW-UHFFFAOYSA-N, ACT11273, ANW-23117, CT-486, SBB089101, TE1078, AKOS000285062, ZINC169743512, GS-6757, LS10964, MCULE-2874194337, RL02328, RTR-008411, VB10402, TRA-0206324, AC-24788, AM808109, AN-30535, BC000734, N815, SC-01917, SY050268, Boronicacid, B-(2,4,6-trifluorophenyl)-, AB0005524, DB-025206, TL8001466, TR-008411, FT-0084818, FT-0609861, ST24038596, MFCD01863169 (95%), B-2301, 482T253, I04-0620, J-507076, C6H4BF3O2, ACN-001828, CID2779329, A4040, T2804, (R)-(+)-2-(4-Hydroxyphenoxy)propionic acid, 2,4,6-Trifluorophenylboronic acid, 97% - 1G 1g, 4214-79-3,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.026g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	175.901g/mol
Monoisotopic Mass	176.026g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^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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