AG003HIT

312936-89-3 | (2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid

AG003HIT

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CAS Number	312936-89-3
Catalog Number	AG003HIT(AGN-PC-04TKR5)
Chemical Name	(2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid
IUPAC Name	[2-methoxy-4-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C8H8BF3O3/c1-15-7-4-5(8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3
InChI Key	UCNRYDKUBYQIOW-UHFFFAOYSA-N
MDL Number	MFCD03428511
Molecular Formula	C8H8BF3O3
Molecular Weight	219.9535
SMILES	FC(C1=CC=C(B(O)O)C(OC)=C1)(F)F
Synonyms	312936-89-3, (2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid, 2-Methoxy-4-(trifluoromethyl)-phenylboronic acid, 2-methoxy-4-(trifluoromethyl)phenylboronic acid, 2-methoxy-4-trifluoromethylphenylboronic acid, [2-methoxy-4-(trifluoromethyl)phenyl]boronic acid, AK-78955, Boronic acid, [2-methoxy-4-(trifluoromethyl)phenyl]-, ACMC-1AD2K, 2-methoxy-4-(trifluoromethyl)phenyl]boronic acid, KSC496O0H, SCHEMBL2463852, CTK3J6703, DTXSID50647883, UCNRYDKUBYQIOW-UHFFFAOYSA-N, CS-B0784, KS-00000AS7, ZX-AP010682, ANW-27074, MFCD03428511, SBB095863, AKOS015851739, ZINC169744878, AB15417, RTR-013314, TRA0008357, VB10560, AC-16649, BC210662, BR-78955, CC-11173, DS-17530, SY027303, AB0028606, AX8011097, DB-006175, ST2407898, TR-013314, 4CH-003312, FT-0644398, X0698, 2-methoxy-4-trifluoromethyl-phenylboronic acid, 2-methoxy-4-trifluoromethylbenzeneboronic acid, (2-Methoxy-4-trifluoromethylphenyl)boronic acid, 2-Methoxy-4-(trifluoromethyl)phenylboronicAcid, B-8105, M04032, 2-Methoxy-4-(trifluoromethyl)benzeneboronic acid, 2-methoxy-4-(trifluoromethyl)phenyl boronic acid, 2-Methoxy-4-Trifluoromethyl)phenyl]boronic acid, MFCD03428511 (95+%), A820790, C-12103, I01-7347, J-018366, Boronic acid,B-[2-methoxy-4-(trifluoromethyl)phenyl]-, C8H8BF3O3, ACN-034256, (2-Methoxy-4-(trifluoromethyl)phenyl)boronicacid,

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-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number