3-(6-phenylhexyl)phenylboronic acid

3-(6-phenylhexyl)phenylboronic acid

CAS: 1795440-43-5

Formula: C18H23BO2

SMILES: OB(O)C1=CC=CC(CCCCCCC2=CC=CC=C2)=C1

IUPAC: [3-(6-phenylhexyl)phenyl]boronic acid

InChI: InChI=1S/C18H23BO2/c20-19(21)18-14-8-13-17(15-18)12-5-2-1-4-9-16-10-6-3-7-11-16/h3,6-8,10-11,13-15,20-21H,1-2,4-5,9,12H2

Composition: C (76.61%), H (8.22%), B (3.83%), O (11.34%)

Molar Mass: 282.19

Atom Count: 44

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	282.17911
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	LBBKPQIDBPGKNX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	83.35
Topological Polar Surface Area	40.46
Polarizability	34.08
Ring Count	2
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1795440-43-5		$105.92-$709.94$105.92$233.29$709.94