AG005OLB

68716-48-3 | 4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane

AG005OLB

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CAS Number	68716-48-3
Catalog Number	AG005OLB(AGN-PC-005L0O)
Chemical Name	4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane
IUPAC Name	4,4,5,5-tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane
InChI	InChI=1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)14(15)16/h5-8H,1-4H3
InChI Key	JWEAFTZTLIGAQU-UHFFFAOYSA-N
MDL Number	MFCD05663879
Molecular Formula	C12H16BNO4
Molecular Weight	249.0707
SMILES	CC1(C)OB(OC1(C)C)c1cc(N(=O)=O)ccc1
Synonyms	68716-48-3, 3-Nitrophenylboronic acid pinacol ester, 4,4,5,5-tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane, 3-nitrophenylboronic acid, pinacol ester, AMTB759, Pinacol 3-Nitrobenzeneboronate, SCHEMBL103381, CTK8B2841, DTXSID00460569, JWEAFTZTLIGAQU-UHFFFAOYSA-N, BM141, ZXBA000120, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene, KS-000022GP, ANW-41155, CN-651, MFCD05663879, AKOS015951145, ZINC169747490, AB22006, AM87141, AS-2751, FCH2717356, 3-nitrophenyl boronic acid pinacol ester, AK-47375, AN-37985, CC-15776, OR310399, SC-47304, SY059195, tetra-methylethylene 3-nitrobenzeneboronate, AB1008202, AX8014108, ST2405231, TR-022925, FT-0641203, 3-Nitrophenylboronic acid pinacol ester, 97%, MFCD05663879 (97%), 3-Nitrobenzeneboronic Acid Pinacol Cyclic Ester, A-9072, F10160, (3-NITROPHENYL)BORONIC ACID PINACOL ESTER, 716N483, A836224, C-15271, 2-(3-Nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NIT, 4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolan, 1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-(3-NITROPHENYL)-, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene; 4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolan, 3- NITROBENZENE, C12H16BNO4, CID11265164,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.117g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.073g/mol
Monoisotopic Mass	249.117g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	64.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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