AG004Y4W

827614-70-0 | 3,4,5-Trifluorophenylboronic acid, pinacol ester

AG004Y4W

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CAS Number	827614-70-0
Catalog Number	AG004Y4W(AGN-PC-0UN7QH)
Chemical Name	3,4,5-Trifluorophenylboronic acid, pinacol ester
IUPAC Name	4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane
InChI	InChI=1S/C12H14BF3O2/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)9(15)6-7/h5-6H,1-4H3
InChI Key	VFCTUUBAONBDJU-UHFFFAOYSA-N
MDL Number	MFCD05663885
Molecular Formula	C12H14BF3O2
Molecular Weight	258.0446
SMILES	CC1(C)OB(OC1(C)C)C1=CC(F)=C(F)C(F)=C1
Synonyms	827614-70-0, 4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane, 3,4,5-trifluorophenylboronic acid, pinacol ester, 3,4,5-Trifluorophenylboronic acid pinacol ester, 3,4,5-trifluorophenylboronic acid,pinacol ester, 2-(3,4,5-trifluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-(3,4,5-Trifluorobenzene)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4,4,5,5-Tetramethyl-2-(3,4,5-trifluoro-phenyl)-[1,3,2]dioxaborolane, 5-trifluorophenyl)-4, AC1MC3A2, SCHEMBL6691092, 3,4,5-TRIFLUOROBENZENEBORONIC ACID PINACOL ESTER, C12H14BF3O2, CTK8B7537, KS-00000NCT, DTXSID80375304, VFCTUUBAONBDJU-UHFFFAOYSA-N, BM185, ANW-57611, CT-318, MFCD05663885, AKOS015960154, ZINC169747929, AB22026, AM87756, CS-W000974, RTR-025859, AK-61951, DS-14895, ST24042532, X1380, B-5183, F10159, 3,4,5 - Trifluorophenylboronic acid pinacol ester, A840436, 2-(3,4,5-Trifluorophenyl)-4,4,5,5-tetramethyl-, 3,4,5-Trifluorophenylboronic acid pinacol ester, AldrichCPR, 1,2,3-Trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene, 1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-, 4,4,5,5-tetramethyl-2-[3,4,5-tris(fluoranyl)phenyl]-1,3,2-dioxaborolane, 1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-(3,4,5-TRIFLUOROPHENYL)-, ACN-032783, CID2760701, T3376, 3,4,5-TRIFLUOROPHENYLBORONICACID,PINACOLESTER,

Complexity	296
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.104g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.047g/mol
Monoisotopic Mass	258.104g/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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