7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-2-ylboronic acid

7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-2-ylboronic acid

CAS: 688756-58-3

Formula: C22H22B2O4

SMILES: CC1(C)OB(OC1(C)C)C1=CC2=C3C(C=CC4=C3C(C=C2)=CC(=C4)B(O)O)=C1

IUPAC: [7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-2-yl]boronic acid

InChI: InChI=1S/C22H22B2O4/c1-21(2)22(3,4)28-24(27-21)18-11-15-7-5-13-9-17(23(25)26)10-14-6-8-16(12-18)20(15)19(13)14/h5-12,25-26H,1-4H3

Composition: C (71.03%), H (5.96%), B (5.81%), O (17.20%)

Molar Mass: 372.03

Atom Count: 50

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	372.170419
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	IOENXPDQFVKUFL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	100.92
Topological Polar Surface Area	58.92
Polarizability	46.48
Ring Count	5
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	688756-58-3		$37.83-$639.33$37.83$90.79$180.32$639.33