AG000VDS

1310384-19-0 | 2-Methoxy-6-(trifluoromethyl)-phenylboronic acid

AG000VDS

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CAS Number	1310384-19-0
Catalog Number	AG000VDS(AGN-PC-0WAMG2)
Chemical Name	2-Methoxy-6-(trifluoromethyl)-phenylboronic acid
IUPAC Name	[2-methoxy-6-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C8H8BF3O3/c1-15-6-4-2-3-5(8(10,11)12)7(6)9(13)14/h2-4,13-14H,1H3
InChI Key	NCTLQYZNASYUIW-UHFFFAOYSA-N
MDL Number	MFCD08059516
Molecular Formula	C8H8BF3O3
Molecular Weight	219.9535
SMILES	OB(C1=C(C(F)(F)F)C=CC=C1OC)O
Synonyms	1310384-19-0, (2-Methoxy-6-(trifluoromethyl)phenyl)boronic acid, 2-Methoxy-6-(trifluoromethyl)benzeneboronic acid, 2-methoxy-6-(trifluoromethyl)phenylboronic acid, 2-METHOXY-6-(TRIFLUOROMETHYL) PHENYLBORONIC ACID, 2-Methoxy-6-(trifluoromethyl)phenyl boronic acid, AK199502, CTK7A9956, KS-00000ASW, CS-D0542, ZX-AP012253, FD7230, MFCD08059516, SBB095864, AKOS027250575, ZINC169807575, AS-49304, SY046052, AB0087918, 2-Methoxy-6-trifluoromethylphenylboronic acid, MFCD08059516 (95%), 2-Methoxy-6-(trifluoromethyl)phenylboronicAcid, W-4146, 2-Methoxy-6-(trifluoromethyl)-phenylboronic acid, Boronic acid, B-[2-methoxy-6-(trifluoromethyl)phenyl]-, 89464-87-9,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.052g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	219.954g/mol
Monoisotopic Mass	220.052g/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