AG008CSD

878194-93-5 | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile

AG008CSD

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CAS Number	878194-93-5
Catalog Number	AG008CSD(AGN-PC-00QOL7)
Chemical Name	3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile
IUPAC Name	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
InChI	InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)9-6-5-7-15-10(9)8-14/h5-7H,1-4H3
InChI Key	CZYZGSPKMBKQBK-UHFFFAOYSA-N
MDL Number	MFCD08458477
Molecular Formula	C12H15BN2O2
Molecular Weight	230.0707
SMILES	CC1(C)OB(OC1(C)C)C1=C(N=CC=C1)C#N
Synonyms	878194-93-5, 2-Cyanopyridine-3-boronic acid pinacol ester, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile, MFCD08458477, 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile, 2-CYANO-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)PYRIDINE, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile, 2-Cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 2-Pyridinecarbonitrile, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, SCHEMBL10060676, CTK8B3689, DTXSID50580549, ZX-RL003486, ANW-42946, AKOS015950047, ZINC169745930, BS-2127, CC-2078, EBD1070434, FCH2716517, MB06242, QC-6576, RTR-027603, VP13890, BC002052, OR310242, AX8074020, TR-027603, 2-Cyano-3-pyridineboronic acid pinacol ester, 4CH-023648, FT-0706592, ST24041442, KS-00002337, B-3878, 2-CYANOPYRIDIN-3-YLBORONIC ACID PINACOL ESTER, (2-CYANOPYRIDIN-3-YL)BORONIC ACID PINACOL ESTER, 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine-2-carbonitrile, 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine-2-carbonitrile;, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinecarbonitrile, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)pyridine-2-carbonitrile, 3-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)pyridine-2-carbonitrile, 2-CYANO-3- PYRIDINE, ACN-026058, 2-Cyanopyridine-3-boronic acid picol ester, 2-Cyanopyridine-3-boronic acid, pinacol ester,

Complexity	332
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.123g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.074g/mol
Monoisotopic Mass	230.123g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code	UN 2811

Certificate of Analysis

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