AG007R5U

196083-18-8 | 2,5-Bis(trifluoromethyl)benzeneboronic acid

AG007R5U

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CAS Number	196083-18-8
Catalog Number	AG007R5U(AGN-PC-0KKZBM)
Chemical Name	2,5-Bis(trifluoromethyl)benzeneboronic acid
IUPAC Name	[2,5-bis(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-2-5(8(13,14)15)6(3-4)9(16)17/h1-3,16-17H
InChI Key	CVZMLRIREADJRS-UHFFFAOYSA-N
MDL Number	MFCD04038223
Molecular Formula	C8H5BF6O2
Molecular Weight	257.9255
SMILES	c1(ccc(c(c1)B(O)O)C(F)(F)F)C(F)(F)F
Synonyms	196083-18-8, 2,5-Bis(trifluoromethyl)benzeneboronic acid, 2,5-bis(trifluoromethyl)phenylboronic acid, [2,5-bis(trifluoromethyl)phenyl]boronic Acid, 2,5-Di(Trifluoromethyl)phenyl Boronic acid, (2,5-bis(trifluoromethyl)phenyl)boronic acid, AC1MCUQE, ACMC-209ezw, SCHEMBL1243257, CTK4E1901, DTXSID60381266, ABLOCK AB-13-3573, CVZMLRIREADJRS-UHFFFAOYSA-N, ZX-AP005734, ANW-23706, MFCD04038223, PC0453, SBB071058, AKOS015852753, ZINC169747859, AB17047, CB-1916, RP29196, ACM196083188, AN-30046, BC001398, BC220729, AX8067360, DB-010317, TR-009106, FT-0647389, ST24038696, X1341, B-7670, 083B188, A813835, Boronic acid,B-[2,5-bis(trifluoromethyl)phenyl]-, 2,5-bis(trifluoromethyl)-benzeneboronic acid, 97+%, I01-1690, J-507276, C8H5BF6O2, ACN-044162, CID2779084,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.029g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	257.926g/mol
Monoisotopic Mass	258.029g/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	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number