AG0023P2

182344-16-7 | Boronic acid, B-[4-fluoro-2-(trifluoromethyl)phenyl]-

AG0023P2

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CAS Number	182344-16-7
Catalog Number	AG0023P2(AGN-PC-0NHT9B)
Chemical Name	Boronic acid, B-[4-fluoro-2-(trifluoromethyl)phenyl]-
IUPAC Name	[4-fluoro-2-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C7H5BF4O2/c9-4-1-2-6(8(13)14)5(3-4)7(10,11)12/h1-3,13-14H
InChI Key	SWUPLEAGZOKLNX-UHFFFAOYSA-N
MDL Number	MFCD08062379
Molecular Formula	C7H5BF4O2
Molecular Weight	207.9180
SMILES	OB(O)C1=C(C=C(F)C=C1)C(F)(F)F
Synonyms	182344-16-7, (4-Fluoro-2-(trifluoromethyl)phenyl)boronic acid, 4-fluoro-2-(trifluoromethyl)phenylboronic acid, 4-Fluoro-2-(trifluoromethyl)benzeneboronic acid, [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid, 2-Borono-5-fluorobenzotrifluoride, MFCD08062379, Boronic acid, [4-fluoro-2-(trifluoromethyl)phenyl]-, 4-Fluoro-2-(trifluoromethyl)phenylboronic acid, 97%, akos brn-1027, ACMC-1BYQ0, 4-fluoro-2-trifluoromethyl-phenylboronic acid, KSC495E5N, SCHEMBL536190, CTK3J5256, DTXSID60477734, SWUPLEAGZOKLNX-UHFFFAOYSA-N, ANW-23104, CF-566, SBB071059, AKOS004113775, ZINC169743456, CS-W000889, LS11037, RTR-008396, TRA0081631, AC-30048, AK-61629, BC000876, DS-14800, SY031354, AB0029199, ST2408030, TR-008396, 2-trifluoromethyl-4-fluorophenylboronic acid, 4CH-009289, F1052, FT-0084913, FT-0659471, X1339, J3.542.510A, MFCD08062379 (97%), (4-fluoro-2-trifluoromethylphenyl)boronic acid, B-3267, 4-fluoro-2-(trifluoromethyl) phenylboronic acid, A812681, [4-fluoranyl-2-(trifluoromethyl)phenyl]boronic acid, I01-1693, Boronic acid, B-[4-fluoro-2-(trifluoromethyl)phenyl]-, 4-Fluoro-2-(trifluoromethyl)phenylboronic acid, AldrichCPR, 4-Fluoro-2-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), C7H5BF4O2, ACN-032817, (4-Fluoro-2-(trifluoromethyl)phenyl)boronicacid,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.032g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	207.919g/mol
Monoisotopic Mass	208.032g/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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