AG00DC4V

445303-14-0 | 4-Fluoro-3-(trifluoromethyl)phenylboronic acid pinacol ester

AG00DC4V

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CAS Number	445303-14-0
Catalog Number	AG00DC4V(AGN-PC-0RSYSO)
Chemical Name	4-Fluoro-3-(trifluoromethyl)phenylboronic acid pinacol ester
IUPAC Name	2-[4-fluoro-3-(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)8-5-6-10(15)9(7-8)13(16,17)18/h5-7H,1-4H3
InChI Key	JGMQFPUMJCFTAR-UHFFFAOYSA-N
MDL Number	MFCD09878546
Molecular Formula	C13H15BF4O2
Molecular Weight	290.0616
SMILES	C(F)(F)(F)c1cc(ccc1F)B1OC(C(O1)(C)C)(C)C
Synonyms	445303-14-0, 4-FLUORO-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID PINACOL ESTER, 2-(4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE, MFCD09878546, 2-[4-fluoro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, SCHEMBL4032950, CTK8E9236, DTXSID20623710, JGMQFPUMJCFTAR-UHFFFAOYSA-N, AKOS017553452, ZINC196767261, AB53959, AS-37298, RT-009673, C-2084, 2-(4-fluoro-3-trifluoromethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane, 2-(4-Fluoro-3-trifluoromethylphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane,

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

Certificate of Analysis

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