4-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

4-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

CAS: 1092060-81-5

Formula: C13H16BNO2

SMILES: CC1CC(C)(C)OB(O1)C1=CC=C(C=C1)C#N

IUPAC: 4-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

InChI: InChI=1/C13H16BNO2/c1-10-8-13(2,3)17-14(16-10)12-6-4-11(9-15)5-7-12/h4-7,10H,8H2,1-3H3

Composition: C (68.16%), H (7.04%), B (4.72%), N (6.11%), O (13.97%)

Molar Mass: 229.09

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	229.127409
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RLBAAYVYBDCJNP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.66
Topological Polar Surface Area	42.25
Polarizability	25.83
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1092060-81-5		$41.52-$163.88$41.52$51.35$54.63$63.37$86.31$163.88