AG000M4R

1245014-05-4 | [4-(benzyloxy)-3-(trifluoromethyl)phenyl]boronic acid

AG000M4R

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CAS Number	1245014-05-4
Catalog Number	AG000M4R(AGN-PC-0HFZH7)
Chemical Name	[4-(benzyloxy)-3-(trifluoromethyl)phenyl]boronic acid
IUPAC Name	[4-phenylmethoxy-3-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C14H12BF3O3/c16-14(17,18)12-8-11(15(19)20)6-7-13(12)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2
InChI Key	WNDRDSTVBFGULJ-UHFFFAOYSA-N
MDL Number	MFCD18383520
Molecular Formula	C14H12BF3O3
Molecular Weight	296.0495
SMILES	OB(O)C1=CC(=C(OCC2=CC=CC=C2)C=C1)C(F)(F)F
Synonyms	1245014-05-4, (4-(Benzyloxy)-3-(trifluoromethyl)phenyl)boronic acid, 4-Benzyloxy-3-(trifluoromethyl)phenylboronicacid, 4-Benzyloxy-3-(trifluoromethyl)phenylboronic acid, AK102969, [4-(Benzyloxy)-3-(trifluoromethyl)phenyl]boronic acid, 4-(BENZYLOXY)-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID, 4-benzyloxy-3-trifluoromethylphenylboronic acid, SCHEMBL2555458, CTK8C0758, KS-00000QAU, DTXSID40737282, 4610AA, ANW-65232, MFCD18383520, AKOS016005140, ZINC169747329, CB-4085, DS-3988, RL01112, BC001144, SY108379, AX8234508, DB-028716, ST2402381, TC-153977, 4CH-017397, FT-0686869, 4-Benzyloxy-3-trifluoroMethylphenylboronicacid, MFCD18383520 (95%), J-514500, Boronic acid, B-[4-(phenylmethoxy)-3-(trifluoromethyl)phenyl]-, C14H12BF3O3, ACN-046541, (4-(BENZYLOXY)-3-(TRIFLUOROMETHYL)PHENYL)BORONICACID,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	296.083g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	296.052g/mol
Monoisotopic Mass	296.083g/mol
Rotatable Bond Count	4
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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