AG002PC6

247564-72-3 | Boronic acid, B-(2,4,5-trifluorophenyl)-

AG002PC6

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CAS Number	247564-72-3
Catalog Number	AG002PC6(AGN-PC-0KL24T)
Chemical Name	Boronic acid, B-(2,4,5-trifluorophenyl)-
IUPAC Name	(2,4,5-trifluorophenyl)boronic acid
InChI	InChI=1S/C6H4BF3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,11-12H
InChI Key	KCHHKNCSISEAAE-UHFFFAOYSA-N
MDL Number	MFCD01863165
Molecular Formula	C6H4BF3O2
Molecular Weight	175.9010
SMILES	OB(O)C1=C(F)C=C(F)C(F)=C1
Synonyms	2,4,5-Trifluorophenylboronic acid, 247564-72-3, (2,4,5-trifluorophenyl)boronic Acid, 2,4,5-trifluorobenzeneboronic acid, MFCD01863165, BORONIC ACID, B-(2,4,5-TRIFLUOROPHENYL)-, Boronic acid, (2,4,5-trifluorophenyl)-, 2,4,5-Trifluorophenylboronic acid, 97%, 2,4,5-Trifluorophenylboronicacid, PubChem1787, AC1MD3U2, ACMC-1CD74, SCHEMBL581257, CTK1A1803, KS-00000ZVZ, DTXSID20382451, KCHHKNCSISEAAE-UHFFFAOYSA-N, ANW-25525, CT-236, SBB071082, AKOS005256560, ZINC169743389, AB10303, AC-5389, LS10962, RTR-011391, VB10400, AN-11015, AS-55766, BC001397, SC-53703, SY009073, AB1004719, DB-010305, 4CH-001209, A5070, BB 0260506, CS-0007601, FT-0084817, FT-0644115, ST24038580, MFCD01863165 (95%), A-9018, 564T723, I01-3505, J-506898, 2,3,6-Trifluorophenylboronic acid, C6H4BF3O2, 2,3,6-Trifluorophenylboronicacid, 4,5,6-Trifluorophenylboronicacid, ACN-032781, CID2783133, A16035, 2,4,5-Trifluorophenylboronic acid, 98% - 1G 1g, 247564-71-2, 247564-73-4,

Complexity	158
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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