AG001QGF

159087-45-3 | 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(2-phenylethynyl)-

AG001QGF

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CAS Number	159087-45-3
Catalog Number	AG001QGF(AGN-PC-00F472)
Chemical Name	1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(2-phenylethynyl)-
IUPAC Name	4,4,5,5-tetramethyl-2-(2-phenylethynyl)-1,3,2-dioxaborolane
InChI	InChI=1S/C14H17BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-9H,1-4H3
InChI Key	VEIORNIWTVJLCN-UHFFFAOYSA-N
MDL Number	MFCD09842761
Molecular Formula	C14H17BO2
Molecular Weight	228.0946
SMILES	CC1(C)C(C)(C)OB(C#CC2=CC=CC=C2)O1
Synonyms	159087-45-3, 2-Phenyl-1-ethynylboronic acid pinacol ester, 4,4,5,5-Tetramethyl-2-(phenylethynyl)-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-(2-phenylethynyl)-1,3,2-dioxaborolane, AK-96221, SCHEMBL2122785, CTK8B3069, DTXSID60471378, VEIORNIWTVJLCN-UHFFFAOYSA-N, ZX-RL002257, ANW-41733, MFCD09842761, AKOS016000999, ZINC169904239, AS-1005, FCH2717655, MB07880, RTR-006722, KS-0000225Y, OR303321, AX8240007, TR-006722, FT-0703838, X0552, B-3553, 2-Phenyl-1-ethynylboronic acid pinacol ester, 90%, J-009560, 2-(Phenylethynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(2-phenylethynyl)-, C14H17BO2, CID11736311,

Complexity	326
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.132g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.098g/mol
Monoisotopic Mass	228.132g/mol
Rotatable Bond Count	2
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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