AG00DC4Y

445303-67-3 | 3-Fluoro-4-(trifluoromethyl)phenylboronic acid pinacol ester

AG00DC4Y

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CAS Number	445303-67-3
Catalog Number	AG00DC4Y(AGN-PC-07XU1Y)
Chemical Name	3-Fluoro-4-(trifluoromethyl)phenylboronic acid pinacol ester
IUPAC Name	2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C13H15BF4O2/c1-11(2)12(3,4)20-14(19-11)8-5-6-9(10(15)7-8)13(16,17)18/h5-7H,1-4H3
InChI Key	FPCSARGPMNDYAO-UHFFFAOYSA-N
MDL Number	MFCD09878544
Molecular Formula	C13H15BF4O2
Molecular Weight	290.0616
SMILES	CC1(C)C(C)(C)OB(C2=CC=C(C(F)(F)F)C(F)=C2)O1
Synonyms	445303-67-3, 2-(3-Fluoro-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 3-FLUORO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID PINACOL ESTER, MFCD09878544, 2-[3-fluoro-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, SCHEMBL321493, CTK8B6274, DTXSID10674690, FPCSARGPMNDYAO-UHFFFAOYSA-N, ANW-53201, AKOS015999773, ZINC169747318, AB53955, AS-37297, TR-017114, B-3472, 3-Fluoro-4-(trifluoromethyl)phenylboronic acid, pinacol ester, 2-(3-Fluoro-4-(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxa-borolane, 3-Fluoro-4- phenylboronicacidpinacolester,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.11g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.065g/mol
Monoisotopic Mass	290.11g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	18.5A^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