AG003KKU

75867-40-2 | 4-[(Trimethylsilyl)ethynyl]benzonitrile

AG003KKU

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CAS Number	75867-40-2
Catalog Number	AG003KKU(AGN-PC-0N59QE)
Chemical Name	4-[(Trimethylsilyl)ethynyl]benzonitrile
IUPAC Name	4-(2-trimethylsilylethynyl)benzonitrile
InChI	InChI=1S/C12H13NSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7H,1-3H3
InChI Key	WWNSLIBJQBBKKG-UHFFFAOYSA-N
MDL Number	MFCD07784408
Molecular Formula	C12H13NSi
Molecular Weight	199.3238
SMILES	N#CC1=CC=C(C#C[Si](C)(C)C)C=C1
Synonyms	75867-40-2, 4-[(Trimethylsilyl)ethynyl]benzonitrile, 4-[2-(trimethylsilyl)ethynyl]benzonitrile, 4-((Trimethylsilyl)ethynyl)benzonitrile, ACMC-20amqu, SCHEMBL853691, CTK2G8539, DTXSID00440720, WWNSLIBJQBBKKG-UHFFFAOYSA-N, 4-(Trimethylsilylethynyl)benzonitrile, ZINC169808365, FCH1122776, NE53825, 4-TRIMETHYLSILYLETHYNYLBENZONITRILE, OR400226, Benzonitrile, 4-[(trimethylsilyl)ethynyl]-, TC-169149, 4-[(Trimethylsilyl)ethynyl]benzonitrile, 97%, Benzonitrile, 4-[2-(trimethylsilyl)ethynyl]-, 4-TRIMETHYLSILYLETHYNYLBENZONITRILE 97, EN300-183690, 4-[2 inverted exclamation marka-(Trimethylsilyl)ethynyl]benzonitrile, 4-(2-trimethylsilylethynyl)benzonitrile, CID10488231, 4-TRIMETHYLSILYLETHYNYLBENZONITRILE97,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.082g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.328g/mol
Monoisotopic Mass	199.082g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H413
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number