AG003JML

849062-08-4 | 3-Methoxy-2,4,6-trifluorophenylboronic acid

AG003JML

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CAS Number	849062-08-4
Catalog Number	AG003JML(AGN-PC-0UV8FD)
Chemical Name	3-Methoxy-2,4,6-trifluorophenylboronic acid
IUPAC Name	(2,4,6-trifluoro-3-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H6BF3O3/c1-14-7-4(10)2-3(9)5(6(7)11)8(12)13/h2,12-13H,1H3
InChI Key	RDORBPOVXUMTLU-UHFFFAOYSA-N
MDL Number	MFCD07369755
Molecular Formula	C7H6BF3O3
Molecular Weight	205.9269
SMILES	c1(c(cc(c(c1F)B(O)O)F)F)OC
Synonyms	849062-08-4, 3-Methoxy-2,4,6-trifluorophenylboronic acid, (2,4,6-TRIFLUORO-3-METHOXYPHENYL)BORONIC ACID, 2,4,6-TRIFLUORO-3-METHOXYPHENYLBORONIC ACID, ACMC-209py0, SCHEMBL2557057, CTK5F3453, DTXSID30584621, ANW-37894, MFCD07369755, AKOS015851549, ZINC169877284, AB32231, FCH1323694, RTR-026299, AS-46771, PC412520, TR-026299, X2324, B-4263, B-(2,4,6-Trifluoro-3-methoxy-phenyl)boronic acid, Boronic acid,B-(2,4,6-trifluoro-3-methoxyphenyl)-, I04-2666, J-519629, C7H6BF3O3,

Complexity	195
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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number