AG003JC1

878194-92-4 | 3-CYANO-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)PYRIDINE

AG003JC1

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CAS Number	878194-92-4
Catalog Number	AG003JC1(AGN-PC-078JT3)
Chemical Name	3-CYANO-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)PYRIDINE
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
InChI	InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)10-5-6-15-8-9(10)7-14/h5-6,8H,1-4H3
InChI Key	LUDBQHAQFBWGNI-UHFFFAOYSA-N
MDL Number	MFCD00152510
Molecular Formula	C12H15BN2O2
Molecular Weight	230.0707
SMILES	CC1(C)OB(OC1(C)C)C1=C(C=NC=C1)C#N
Synonyms	878194-92-4, 3-Cyanopyridine-4-boronic acid pinacol ester, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile, 3-CYANO-4-PYRIDINEBORONIC ACID PINACOL ESTER, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE-3-CARBONITRILE, MFCD09037481, AK-40512, 3-CYANO-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)PYRIDINE, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-PYRIDINECARBONITRILE, SCHEMBL9936199, CTK8B3686, KS-00000ATY, DTXSID00660623, LUDBQHAQFBWGNI-UHFFFAOYSA-N, ZX-RL003504, ANW-42943, AKOS015950158, ZINC169745950, BS-2126, CC-2081, FCH2716572, MB06850, QC-6521, RTR-027602, VP13889, 3-Cyano-4-pyridineboronicAcidPinacolEster, BC001005, OR310222, SY021539, AB0067064, AX8162092, TR-027602, CS-0037934, FT-0716346, B-4911, MFCD09037481 (97+%), 3-CYANOPYRIDIN-4-YLBORONIC ACID PINACOL ESTER, (3-CYANOPYRIDIN-4-YL)BORONIC ACID PINACOL ESTER, 3-Cyano-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-nicotinonitrile, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)pyridine-3-carbonitrile, ACN-026094, 3-Cyanopyridine-4-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	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

Lot Number