2-amino-5-(trifluoromethyl)-3-[2-(trimethylsilyl)ethynyl]benzonitrile

2-amino-5-(trifluoromethyl)-3-[2-(trimethylsilyl)ethynyl]benzonitrile

CAS: 1221792-67-1

Formula: C13H13F3N2Si

SMILES: C[Si](C)(C)C#CC1=C(N)C(=CC(=C1)C(F)(F)F)C#N

IUPAC: 2-amino-5-(trifluoromethyl)-3-[2-(trimethylsilyl)ethynyl]benzonitrile

InChI: InChI=1S/C13H13F3N2Si/c1-19(2,3)5-4-9-6-11(13(14,15)16)7-10(8-17)12(9)18/h6-7H,18H2,1-3H3

Composition: C (55.30%), H (4.64%), F (20.19%), N (9.92%), Si (9.95%)

Molar Mass: 282.341

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	282.080009451
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IBTAKELRSAONNG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.69
Topological Polar Surface Area	49.81
Polarizability	25.42
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1221792-67-1		$51.35-$449.02$51.35$63.37$86.31$292.79$449.02