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

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

Formula: C17H24BNO3

SMILES: CC(C)COC1=C(C=CC(=C1)B1OC(C)(C)C(C)(C)O1)C#N

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

InChI: InChI=1S/C17H24BNO3/c1-12(2)11-20-15-9-14(8-7-13(15)10-19)18-21-16(3,4)17(5,6)22-18/h7-9,12H,11H2,1-6H3

Composition: C (67.79%), H (8.03%), B (3.59%), N (4.65%), O (15.94%)

Molar Mass: 301.19

Atom Count: 46

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	301.184924
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NFSINPRTAHUWFG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.64
Topological Polar Surface Area	51.48
Polarizability	33.87
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H24BNO3		Quote Only