AG002GIL

187804-79-1 | Boronic acid, B-[3-fluoro-4-(trifluoromethoxy)phenyl]-

AG002GIL

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CAS Number	187804-79-1
Catalog Number	AG002GIL(AGN-PC-0KL26G)
Chemical Name	Boronic acid, B-[3-fluoro-4-(trifluoromethoxy)phenyl]-
IUPAC Name	[3-fluoro-4-(trifluoromethoxy)phenyl]boronic acid
InChI	InChI=1S/C7H5BF4O3/c9-5-3-4(8(13)14)1-2-6(5)15-7(10,11)12/h1-3,13-14H
InChI Key	VDEVIIGZNWVCOR-UHFFFAOYSA-N
MDL Number	MFCD07368680
Molecular Formula	C7H5BF4O3
Molecular Weight	223.9174
SMILES	c1c(c(cc(c1)B(O)O)F)OC(F)(F)F
Synonyms	187804-79-1, 3-FLUORO-4-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID, (3-Fluoro-4-(trifluoromethoxy)phenyl)boronic acid, 3-Fluoro-4-(trifluoromethoxy)benzeneboronic acid, [3-fluoro-4-(trifluoromethoxy)phenyl]boronic Acid, AK139928, Boronic acid, [3-fluoro-4-(trifluoromethoxy)phenyl]-, Boronic acid, B-[3-fluoro-4-(trifluoromethoxy)phenyl]-, ACMC-209eq6, AC1MD3Z2, SCHEMBL491621, CTK4D9615, DTXSID50382500, VDEVIIGZNWVCOR-UHFFFAOYSA-N, ZX-AP002471, ANW-23356, MFCD07368680, SBB096579, AKOS015853367, ZINC169794663, AB32065, PC10382, PS-9475, ACM187804791, SC-50727, AX8242546, DB-028483, TR-008684, 3-fluoro-4-trifluoromethoxyphenylboronic acid, FT-0749219, V3992, 3-fluoro-4-trifluoromethoxy phenylboronic acid, 3-Fluoro-4-trifluoromethoxybenzene boronic acid, B-7582, I01-7485, 3-fluoro-4-(trifluoromethoxy)benzene boronic acid, AldrichCPR, C7H5BF4O3, CID2783193,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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