AG004KM4

871332-97-7 | 3-Methoxy-5-(trifluoromethyl)phenylboronic acid

AG004KM4

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CAS Number	871332-97-7
Catalog Number	AG004KM4(AGN-PC-0786K1)
Chemical Name	3-Methoxy-5-(trifluoromethyl)phenylboronic acid
IUPAC Name	[3-methoxy-5-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C8H8BF3O3/c1-15-7-3-5(8(10,11)12)2-6(4-7)9(13)14/h2-4,13-14H,1H3
InChI Key	GKEMDZIGTOAZRK-UHFFFAOYSA-N
MDL Number	MFCD08056362
Molecular Formula	C8H8BF3O3
Molecular Weight	219.9535
SMILES	COC1=CC(=CC(=C1)C(F)(F)F)B(O)O
Synonyms	871332-97-7, 3-Methoxy-5-(trifluoromethyl)phenylboronic acid, 3-METHOXY-5-(TRIFLUOROMETHYL)BENZENEBORONIC ACID, (3-methoxy-5-(trifluoromethyl)phenyl)boronic acid, 3-METHOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID, [3-methoxy-5-(trifluoromethyl)phenyl]boronic acid, MFCD08056362, AK-45430, 3-Methoxy-5-(trifluoromethyl)benzeneboronicacid, 3-Methoxy-5-( trifluoromethyl)benzeneboronic acid, 5-METHOXY-3-TRIFLUOROMETHYLBENZENEBORONIC ACID, Boronic acid, [3-methoxy-5-(trifluoromethyl)phenyl]-, 3-Methoxy-5-(trifluoromethyl)phenylboronic acid, 97%, ACMC-209qhq, SCHEMBL1409616, CTK3I9595, KS-00000MFY, DTXSID50660239, GKEMDZIGTOAZRK-UHFFFAOYSA-N, ZX-AP006881, ANW-38604, CM-917, PC5052, SBB071093, AKOS015851550, ZINC169743455, AB43024, AM87304, CS-W009508, RL05417, RP27217, RTR-027268, TRA0075789, BC001809, CC-15463, DS-13519, SC-52917, AX8006252, DB-010608, TR-027268, FT-0644995, M2943, ST24042272, V1859, 3-Methoxy-5-trifluoromethylbenzeneboronic acid, 3-(Trifluoromethyl)-5-methoxyphenylboronic acid, B-5696, A842011, C-12101, 3-methoxy-5-(trifluoromethyl)benzeneboronicacid98%, J-512768, 3-methoxy-5-(trifluoromethyl)benzeneboronic acid 98%, (3-methoxy-5-(trifluoromethyl)phenyl)boronic acid, AldrichCPR, 3-Methoxy-5-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), C8H8BF3O3, ACN-044252, 3-Methoxy-5-(trifluoromethyl)phenylboronicacid,

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

Certificate of Analysis

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