2-(benzyloxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

2-(benzyloxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS: 1448894-65-2

Formula: C20H22BNO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC(OCC2=CC=CC=C2)=C(C=C1)C#N

IUPAC: 2-(benzyloxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

InChI: InChI=1S/C20H22BNO3/c1-19(2)20(3,4)25-21(24-19)17-11-10-16(13-22)18(12-17)23-14-15-8-6-5-7-9-15/h5-12H,14H2,1-4H3

Composition: C (71.66%), H (6.62%), B (3.22%), N (4.18%), O (14.32%)

Molar Mass: 335.21

Atom Count: 47

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	335.169274
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	YDEUNLVOYPZMFK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	92.51
Topological Polar Surface Area	51.48
Polarizability	37.95
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1448894-65-2		$51.35-$294.98$51.35$63.37$86.31$98.33$294.98