AG004XDK

863868-34-2 | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile

AG004XDK

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CAS Number	863868-34-2
Catalog Number	AG004XDK(AGN-PC-0V4P1B)
Chemical Name	5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile
IUPAC Name	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarbonitrile
InChI	InChI=1S/C14H15BN2O2/c1-13(2)14(3,4)19-15(18-13)12-6-10(8-16)5-11(7-12)9-17/h5-7H,1-4H3
InChI Key	FAZFONAGXSBJMR-UHFFFAOYSA-N
MDL Number	MFCD08061937
Molecular Formula	C14H15BN2O2
Molecular Weight	254.0921
SMILES	CC1(OB(OC1(C)C)C=1C=C(C=C(C#N)C1)C#N)C
Synonyms	5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOPHTHALONITRILE, 863868-34-2, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarbonitrile, SCHEMBL7960738, CTK5F6545, DTXSID90699447, MFCD08061937, AKOS016844604, ZINC169955039, FCH2816665, RL05336, DA-02371, AX8253261, 4CH-005238, CS-0054350, A841631, J-516203, 5-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZENE-1,3-DICARBONITRILE,

Complexity	417
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.123g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.096g/mol
Monoisotopic Mass	254.123g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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