2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

CAS: 867164-54-3

Formula: C21H22BNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC2=NC(=CC=C2C=C1)C1=CC=CC=C1

IUPAC: 2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

InChI: InChI=1S/C21H22BNO2/c1-20(2)21(3,4)25-22(24-20)17-12-10-16-11-13-18(23-19(16)14-17)15-8-6-5-7-9-15/h5-14H,1-4H3

Composition: C (76.15%), H (6.70%), B (3.26%), N (4.23%), O (9.66%)

Molar Mass: 331.22

Atom Count: 47

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	331.174359
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VOQQQNUKCRGZCR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	94.4
Topological Polar Surface Area	31.35
Polarizability	41.74
Ring Count	4
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	867164-54-3		$31.53-$123.58$31.53$47.92$123.58