AG00DFT3

463336-26-7 | 5-CYANOTHIOPHENE-2-BORONIC ACID PINACOL ESTER

AG00DFT3

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CAS Number	463336-26-7
Catalog Number	AG00DFT3(AGN-PC-0RUCO4)
Chemical Name	5-CYANOTHIOPHENE-2-BORONIC ACID PINACOL ESTER
IUPAC Name	2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carbonitrile
InChI	InChI=1S/C11H14BNO2S/c1-10(2)11(3,4)15-12(14-10)9-8(7-13)5-6-16-9/h5-6H,1-4H3
InChI Key	XRUWLMWBUSUJPV-UHFFFAOYSA-N
MDL Number	MFCD12407260
Molecular Formula	C11H14BNO2S
Molecular Weight	235.1104
SMILES	N#CC1=C(B2OC(C)(C)C(C)(C)O2)SC=C1
Synonyms	463336-26-7, 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-3-CARBONITRILE, 2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)thiophene-3-carbonitrile, SCHEMBL2659269, CTK4I9326, DTXSID80623312, XRUWLMWBUSUJPV-UHFFFAOYSA-N, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-Thiophenecarbonitrile, AKOS022173777, ZINC169996769, FCH2770864, DA-05678, AX8259528, FT-0723195, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)thiophene-3-carbonitrile, 5-Cyanothiophene-2-boronic acid pinacol ester,

Complexity	320
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.084g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.108g/mol
Monoisotopic Mass	235.084g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.5A^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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