AG00DADE

503309-10-2 | 2-Fluoro-4-trifluoromethoxyphenylboronic acid

AG00DADE

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CAS Number	503309-10-2
Catalog Number	AG00DADE(AGN-PC-03JVMH)
Chemical Name	2-Fluoro-4-trifluoromethoxyphenylboronic acid
IUPAC Name	[2-fluoro-4-(trifluoromethoxy)phenyl]boronic acid
InChI	InChI=1S/C7H5BF4O3/c9-6-3-4(15-7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChI Key	YQMMVZVQAHYXFZ-UHFFFAOYSA-N
MDL Number	MFCD11040275
Molecular Formula	C7H5BF4O3
Molecular Weight	223.9174
SMILES	FC(F)(F)OC1=CC=C(B(O)O)C(F)=C1
Synonyms	503309-10-2, (2-Fluoro-4-(trifluoromethoxy)phenyl)boronic acid, 2-FLUORO-4-TRIFLUOROMETHOXYPHENYLBORONIC ACID, 2-Fluoro-4-trifluoromethoxybenzeneboronic Acid, [2-Fluoro-4-(trifluoromethoxy)phenyl]boronic acid, ACMC-209klf, SCHEMBL3851173, CTK4J2451, DTXSID80622229, YQMMVZVQAHYXFZ-UHFFFAOYSA-N, ANW-30961, MFCD11040275, AKOS015893247, ZINC169806920, PC48616, AK141646, AS-43260, AX8281801, TX-011783, CS-0084811, V6239, A-5732, 2-Fluoro-4-(trifluoromethoxy)benzeneboronic acid, I04-2794, Boronic acid, [2-fluoro-4-(trifluoromethoxy)phenyl]-, Boronic acid,B-[2-fluoro-4-(trifluoromethoxy)phenyl]-, C7H5BF4O3,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.027g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	223.918g/mol
Monoisotopic Mass	224.027g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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